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Hydroquinolones
Description:
Compounds containing a hydrogenated quinoline bearing a ketone group.
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Ethyl 4-hydroxy-6-methylquinoline-3-carboxylateCas Number: 85418-82-2 Compound CID: 718103Formula: C13H13NO3 Molecular Weight: 231.25IUPAC Name: ethyl 6-methyl-4-oxo-1H-quinoline-3-carboxylateSMILES: CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)CInChIKey: WRHXUGRUTJJRQQ-UHFFFAOYSA-NInChI: InChI=1S/C13H13NO3/c1-3-17-13(16)10-7-14-11-5-4-8(2)6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15) -
Ethyl 4-chloro-2-oxo-1，2-dihydroquinoline-3-carboxylateFormula: C12H10ClNO3 Molecular Weight: 251.66IUPAC Name: ethyl 4-chloro-2-oxo-1H-quinoline-3-carboxylateSMILES: CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)ClInChIKey: KTFCVAZGXKEUSN-UHFFFAOYSA-NInChI: InChI=1S/C12H10ClNO3/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)14-11(9)15/h3-6H,2H2,1H3,(H,14,15)
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Ethyl 2-Hydroxyquinoline-4-CarboxylateCas Number: 5466-27-3 Compound CID: 160782Formula: C12H11NO3 Molecular Weight: 217.23IUPAC Name: ethyl 2-oxo-1H-quinoline-4-carboxylateSMILES: CCOC(=O)C1=CC(=O)NC2=CC=CC=C21InChIKey: WTHATVQLTWYSCI-UHFFFAOYSA-NInChI: InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-11(14)13-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3,(H,13,14)
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6,7-Dimethoxyquinolin-4(1H)-oneCas Number: 127285-54-5 EC Number: 811-007-0Formula: C11H11NO3 Molecular Weight: 205.21IUPAC Name: 6,7-dimethoxy-1H-quinolin-4-oneSMILES: COC1=C(C=C2C(=C1)C(=O)C=CN2)OCInChIKey: QOGPNCUTXVZQSL-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h3-6H,1-2H3,(H,12,13)
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5-Chloroquinolin-4-olCas Number: 23443-05-2 Compound CID: 18415015Formula: C9H6ClNO Molecular Weight: 179.6IUPAC Name: 5-chloro-1H-quinolin-4-oneSMILES: C1=CC2=C(C(=O)C=CN2)C(=C1)ClInChIKey: ZCEBTEWGAPZZPJ-UHFFFAOYSA-NInChI: InChI=1S/C9H6ClNO/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-5H,(H,11,12)
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4-chloroquinolin-2(1H)-oneCas Number: 20146-59-2 Compound CID: 298329Formula: C9H6ClNO Molecular Weight: 179.6IUPAC Name: 4-chloro-1H-quinolin-2-oneSMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)ClInChIKey: YJXTZWWKNXVRHA-UHFFFAOYSA-NInChI: InChI=1S/C9H6ClNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-5H,(H,11,12)
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4-Methyl-2-oxo-1，2-dihydroquinoline-3-carbonitrileIUPAC Name: 4-methyl-2-oxo-1H-quinoline-3-carbonitrileSMILES: CC1=C(C(=O)NC2=CC=CC=C12)C#NInChIKey: XNWOEPJJGKULBS-UHFFFAOYSA-NInChI: InChI=1S/C11H8N2O/c1-7-8-4-2-3-5-10(8)13-11(14)9(7)6-12/h2-5H,1H3,(H,13,14)
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4-HYDROXY-5-BROMOQUINOLINECas Number: 723283-89-4 Compound CID: 21984261Formula: C9H6BrNO Molecular Weight: 224.05IUPAC Name: 5-bromo-1H-quinolin-4-oneSMILES: C1=CC2=C(C(=O)C=CN2)C(=C1)BrInChIKey: LBHOUIRHKSQBFO-UHFFFAOYSA-NInChI: InChI=1S/C9H6BrNO/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-5H,(H,11,12)
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3-(Hydroxymethyl)quinolin-2(1H)-oneCas Number: 90097-45-3 Compound CID: 2764578Formula: C10H9NO2 Molecular Weight: 175.19IUPAC Name: 3-(hydroxymethyl)-1H-quinolin-2-oneSMILES: C1=CC=C2C(=C1)C=C(C(=O)N2)COInChIKey: VHJYMYGHHCHEDA-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5,12H,6H2,(H,11,13)
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2，6-Bis(trifluoromethyl)quinolin-4-olCas Number: 35877-04-4 Compound CID: 2736155Formula: C11H5F6NO Molecular Weight: 281.16IUPAC Name: 2,6-bis(trifluoromethyl)-1H-quinolin-4-oneSMILES: C1=CC2=C(C=C1C(F)(F)F)C(=O)C=C(N2)C(F)(F)FInChIKey: AOGNHURBEDTPIZ-UHFFFAOYSA-NInChI: InChI=1S/C11H5F6NO/c12-10(13,14)5-1-2-7-6(3-5)8(19)4-9(18-7)11(15,16)17/h1-4H,(H,18,19)
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1-Methyl-6-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)-3，4-dihydroquinolin-2(1H)-oneCas Number: 1427587-32-3 Compound CID: 72208233Formula: C16H22BNO3 Molecular Weight: 287.2IUPAC Name: 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-oneSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)CC3)CInChIKey: KBKLZANEYMGZGD-UHFFFAOYSA-NInChI: InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-8-13-11(10-12)6-9-14(19)18(13)5/h7-8,10H,6,9H2,1-5H3
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1-Butyl-4-methylquinolin-2(1H)-oneCas Number: 32511-84-5 Compound CID: 269196Formula: C14H17NO Molecular Weight: 215.296IUPAC Name: 1-butyl-4-methylquinolin-2-oneSMILES: CCCCN1C2=CC=CC=C2C(=CC1=O)CInChIKey: BDQRFECVDXBVMM-UHFFFAOYSA-NInChI: InChI=1S/C14H17NO/c1-3-4-9-15-13-8-6-5-7-12(13)11(2)10-14(15)16/h5-8,10H,3-4,9H2,1-2H3
