N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C19H16ClN3O2 — CID 59756654

IUPACN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccc2c(c1)CCNC2
InChIInChI=1S/C19H16ClN3O2/c20-16-9-15-12(4-6-22-19(15)25)8-17(16)23-18(24)13-1-2-14-10-21-5-3-11(14)7-13/h1-2,4,6-9,21H,3,5,10H2,(H,22,25)(H,23,24)
InChIKeyIKBXQAOXRAJLBZ-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.08
Rot. Bonds2

About N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 59756654) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID59756654
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccc2c(c1)CCNC2
InChIInChI=1S/C19H16ClN3O2/c20-16-9-15-12(4-6-22-19(15)25)8-17(16)23-18(24)13-1-2-14-10-21-5-3-11(14)7-13/h1-2,4,6-9,21H,3,5,10H2,(H,22,25)(H,23,24)
InChIKeyIKBXQAOXRAJLBZ-UHFFFAOYSA-N
XLogP3.08
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide with MolForge

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Related Compounds

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperazine-2-carboxamide
CID 59756671
(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide
CID 59756651
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 103479333
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-methyl-4-nitrobenzamide
CID 59756614
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)propanamide;benzene
CID 143649167
3-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)amino]-3-oxo-2-phenylpropanoic acid
CID 59756559
(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide
CID 143649216
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide
CID 103806791
2-(benzylamino)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)acetamide
CID 46890138
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-cyclohexylpropanamide
CID 68873926

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 59756654) is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is IKBXQAOXRAJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-16-9-15-12(4-6-22-19(15)25)8-17(16)23-18(24)13-1-2-14-10-21-5-3-11(14)7-13/h1-2,4,6-9,21H,3,5,10H2,(H,22,25)(H,23,24).
What are the key properties of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 59756654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).