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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.
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1-(Isoquinolin-3-yl)ethanoneCas Number: 91544-03-5 Compound CID: 11275275Formula: C11H9NO Molecular Weight: 171.19IUPAC Name: 1-isoquinolin-3-ylethanoneSMILES: CC(=O)C1=CC2=CC=CC=C2C=N1InChIKey: NLMXNLJJYMMQIF-UHFFFAOYSA-NInChI: InChI=1S/C11H9NO/c1-8(13)11-6-9-4-2-3-5-10(9)7-12-11/h2-7H,1H3 -
1-(Isoquinolin-1-yl)ethanoneCas Number: 58022-21-2 Compound CID: 13157214Formula: C11H9NO Molecular Weight: 171.19IUPAC Name: 1-isoquinolin-1-ylethanoneSMILES: CC(=O)C1=NC=CC2=CC=CC=C21InChIKey: UBOQZJCKVLWPLH-UHFFFAOYSA-NInChI: InChI=1S/C11H9NO/c1-8(13)11-10-5-3-2-4-9(10)6-7-12-11/h2-7H,1H3
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Methyl isoquinoline-7-carboxylateCas Number: 178262-31-2 Compound CID: 22709956Formula: C11H9NO2 Molecular Weight: 187.19IUPAC Name: methyl isoquinoline-7-carboxylateSMILES: COC(=O)C1=CC2=C(C=C1)C=CN=C2InChIKey: IBSCADYIYSQTJC-UHFFFAOYSA-NInChI: InChI=1S/C11H9NO2/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9/h2-7H,1H3
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Methyl 8-IsoquinolinecarboxylateIUPAC Name: methyl isoquinoline-8-carboxylateSMILES: COC(=O)C1=CC=CC2=C1C=NC=C2InChIKey: QHXHWOJLSCPSKV-UHFFFAOYSA-NInChI: InChI=1S/C11H9NO2/c1-14-11(13)9-4-2-3-8-5-6-12-7-10(8)9/h2-7H,1H3
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Isoquinoline-6-carbaldehydeCas Number: 173089-81-1 Compound CID: 15290359Formula: C10H7NO Molecular Weight: 157.172IUPAC Name: isoquinoline-6-carbaldehydeSMILES: C1=CC2=C(C=CN=C2)C=C1C=OInChIKey: SXPXHJKHWVCCRO-UHFFFAOYSA-NInChI: InChI=1S/C10H7NO/c12-7-8-1-2-10-6-11-4-3-9(10)5-8/h1-7H
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Isoquinoline-7-carbonitrileCas Number: 223671-92-9 Compound CID: 20493448Formula: C10H6N2 Molecular Weight: 154.17IUPAC Name: isoquinoline-7-carbonitrileSMILES: C1=CC(=CC2=C1C=CN=C2)C#NInChIKey: JGMSGABJHLXRRW-UHFFFAOYSA-NInChI: InChI=1S/C10H6N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-5,7H
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Isoquinolin-1-ylboronic acidCas Number: 1219080-58-6 Compound CID: 53398519Formula: C9H8BNO2 Molecular Weight: 172.98IUPAC Name: isoquinolin-1-ylboronic acidSMILES: B(C1=NC=CC2=CC=CC=C12)(O)OInChIKey: RVUIQFODKHOTHQ-UHFFFAOYSA-NInChI: InChI=1S/C9H8BNO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6,12-13H
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Isoquinoline-3-carboximidamide hydrochlorideCas Number: 1179362-42-5 Compound CID: 46839657Formula: C10H10ClN3 Molecular Weight: 207.66IUPAC Name: isoquinoline-3-carboximidamide;hydrochlorideSMILES: C1=CC=C2C=NC(=CC2=C1)C(=N)N.ClInChIKey: IMCAGIJSBQEATO-UHFFFAOYSA-NInChI: InChI=1S/C10H9N3.ClH/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9;/h1-6H,(H3,11,12);1H
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Isoquinoline-3-carboxamideCas Number: 50458-77-0 Compound CID: 14925627Formula: C10H8N2O Molecular Weight: 172.18IUPAC Name: isoquinoline-3-carboxamideSMILES: C1=CC=C2C=NC(=CC2=C1)C(=O)NInChIKey: KKSZSACCVDIWIE-UHFFFAOYSA-NInChI: InChI=1S/C10H8N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-6H,(H2,11,13)
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Isoquinolin-4-ylmethanamineCas Number: 58123-56-1 Compound CID: 12018692Formula: C10H10N2 Molecular Weight: 158.2IUPAC Name: isoquinolin-4-ylmethanamineSMILES: C1=CC=C2C(=C1)C=NC=C2CNInChIKey: ZTMHEIRKNHCJEG-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H,5,11H2
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Isoquinolin-1-ylmethanamine dihydrochlorideFormula: C10H12Cl2N2 Molecular Weight: 231.12IUPAC Name: isoquinolin-1-ylmethanamine;dihydrochlorideSMILES: C1=CC=C2C(=C1)C=CN=C2CN.Cl.ClInChIKey: NSZXYJPWXMGVFU-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2.2ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;;/h1-6H,7,11H2;2*1H
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BENZO[F]ISOQUINOLIN-4(3H)-ONECas Number: 30081-63-1 Compound CID: 17750561Formula: C13H9NO Molecular Weight: 195.22IUPAC Name: 3H-benzo[f]isoquinolin-4-oneSMILES: C1=CC=C2C(=C1)C=CC3=C2C=CNC3=OInChIKey: WMSJINODUNXFFQ-UHFFFAOYSA-NInChI: InChI=1S/C13H9NO/c15-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-14-13/h1-8H,(H,14,15)
