This is a demo store. No orders will be fulfilled.
Isoquinolines and derivatives
Description:
Aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
-
8-OxocoptisineCas Number: 19716-61-1 Compound CID: 5245667Formula: C19H13NO5 Molecular Weight: 335.3IUPAC Name: 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-oneSMILES: C1CN2C(=CC3=C(C2=O)C4=C(C=C3)OCO4)C5=CC6=C(C=C51)OCO6InChIKey: UCAFJBSQKXVPDX-UHFFFAOYSA-NInChI: InChI=1S/C19H13NO5/c21-19-17-11(1-2-14-18(17)25-9-22-14)5-13-12-7-16-15(23-8-24-16)6-10(12)3-4-20(13)19/h1-2,5-7H,3-4,8-9H2 -
7-Aminoisoquinolin-1(2H)-oneCas Number: 174302-46-6 Compound CID: 15541816Formula: C9H8N2O Molecular Weight: 160.18IUPAC Name: 7-amino-2H-isoquinolin-1-oneSMILES: C1=CC(=CC2=C1C=CNC2=O)NInChIKey: YLYZPUIUNDCIRG-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,10H2,(H,11,12)
-
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolineCas Number: 1082947-07-6 Compound CID: 25104972Formula: C15H18BNO2 Molecular Weight: 255.13IUPAC Name: 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolineSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=CN=C3InChIKey: SIHZUSQPCJZIQR-UHFFFAOYSA-NInChI: InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-6-5-11-7-8-17-10-12(11)9-13/h5-10H,1-4H3
-
6，9-Difluorobenzo[g]isoquinoline-5，10-dioneCas Number: 144511-13-7 Compound CID: 10105904Formula: C13H5F2NO2 Molecular Weight: 245.19IUPAC Name: 6,9-difluorobenzo[g]isoquinoline-5,10-dioneSMILES: C1=CC(=C2C(=C1F)C(=O)C3=C(C2=O)C=NC=C3)FInChIKey: SCOHHAVQFVXLPO-UHFFFAOYSA-NInChI: InChI=1S/C13H5F2NO2/c14-8-1-2-9(15)11-10(8)12(17)6-3-4-16-5-7(6)13(11)18/h1-5H
-
6-Methylisoquinolin-1(2H)-oneCas Number: 131002-10-3 Compound CID: 15451673Formula: C10H9NO Molecular Weight: 159.18IUPAC Name: 6-methyl-2H-isoquinolin-1-oneSMILES: CC1=CC2=C(C=C1)C(=O)NC=C2InChIKey: AVBPTIYKXNVKNJ-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
-
6-Methyl-3，4-dihydroisoquinolin-1(2H)-oneCas Number: 1082041-78-8 Compound CID: 22890891Formula: C10H11NO Molecular Weight: 161.2IUPAC Name: 6-methyl-3,4-dihydro-2H-isoquinolin-1-oneSMILES: CC1=CC2=C(C=C1)C(=O)NCC2InChIKey: UYZJTSNVWCNCIR-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-3,6H,4-5H2,1H3,(H,11,12)
-
6-Chloro-3-methylisoquinolineCas Number: 14123-76-3 Compound CID: 20616787Formula: C10H8ClN Molecular Weight: 177.63IUPAC Name: 6-chloro-3-methylisoquinolineSMILES: CC1=CC2=C(C=CC(=C2)Cl)C=N1InChIKey: VLPNHJHAQSABQP-UHFFFAOYSA-NInChI: InChI=1S/C10H8ClN/c1-7-4-9-5-10(11)3-2-8(9)6-12-7/h2-6H,1H3
-
6-Amino-3,4-dihydroisoquinolin-1(2H)-oneCas Number: 22246-00-0 Compound CID: 27274719Formula: C9H10N2O Molecular Weight: 162.19IUPAC Name: 6-amino-3,4-dihydro-2H-isoquinolin-1-oneSMILES: C1CNC(=O)C2=C1C=C(C=C2)NInChIKey: DVLAULBAJZJPJS-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2O/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4,10H2,(H,11,12)
-
6-(Trifluoromethyl)isoquinolineCas Number: 1194375-62-6 Compound CID: 20493428Formula: C10H6F3N Molecular Weight: 197.16IUPAC Name: 6-(trifluoromethyl)isoquinolineSMILES: C1=CC2=C(C=CN=C2)C=C1C(F)(F)FInChIKey: FFXLPXFDDMEXSB-UHFFFAOYSA-NInChI: InChI=1S/C10H6F3N/c11-10(12,13)9-2-1-8-6-14-4-3-7(8)5-9/h1-6H
-
6-(Trifluoromethyl)isoquinolin-1(2H)-oneIUPAC Name: 6-(trifluoromethyl)-2H-isoquinolin-1-oneSMILES: C1=CC2=C(C=CNC2=O)C=C1C(F)(F)FInChIKey: VOZOQWOUOOVFSB-UHFFFAOYSA-NInChI: InChI=1S/C10H6F3NO/c11-10(12,13)7-1-2-8-6(5-7)3-4-14-9(8)15/h1-5H,(H,14,15)
-
5-bromo-4-methylisoquinolineCas Number: 651310-24-6 Compound CID: 21979882Formula: C10H8BrN Molecular Weight: 222.09IUPAC Name: 5-bromo-4-methylisoquinolineSMILES: CC1=CN=CC2=C1C(=CC=C2)BrInChIKey: TYIXPGHNBIZJTL-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrN/c1-7-5-12-6-8-3-2-4-9(11)10(7)8/h2-6H,1H3
-
5-Fluoroisoquinolin-1(2H)-OneCas Number: 410086-25-8 Compound CID: 22250167Formula: C9H6FNO Molecular Weight: 163.15IUPAC Name: 5-fluoro-2H-isoquinolin-1-oneSMILES: C1=CC2=C(C=CNC2=O)C(=C1)FInChIKey: OIWXBOQZFZCUPA-UHFFFAOYSA-NInChI: InChI=1S/C9H6FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
