1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide

C19H17ClN2O — CID 10925336

IUPAC1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide
SMILESCC(C)N[11C](=O)c1c[11c]2ccccc2c(-c2ccccc2Cl)n1
InChIInChI=1S/C19H17ClN2O/c1-12(2)21-19(23)17-11-13-7-3-4-8-14(13)18(22-17)15-9-5-6-10-16(15)20/h3-12H,1-2H3,(H,21,23)/i13-1,19-1
InChIKeyIXGVEJHLTXUACD-WABHSLEKSA-N
MW322.81 g/mol
LogP4.69
Rot. Bonds3

About 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide

1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide (PubChem CID 10925336) has the molecular formula C19H17ClN2O and a molecular weight of 322.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide
PubChem CID10925336
Molecular FormulaC19H17ClN2O
Molecular Weight322.81 g/mol
Exact Mass322.13
IUPAC Name1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide
SMILESCC(C)N[11C](=O)c1c[11c]2ccccc2c(-c2ccccc2Cl)n1
InChIInChI=1S/C19H17ClN2O/c1-12(2)21-19(23)17-11-13-7-3-4-8-14(13)18(22-17)15-9-5-6-10-16(15)20/h3-12H,1-2H3,(H,21,23)/i13-1,19-1
InChIKeyIXGVEJHLTXUACD-WABHSLEKSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide
CID 10947695
1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 141187748
1-(2-chlorophenyl)-N-(3-methylbutyl)isoquinoline-3-carboxamide
CID 59672249
N-butan-2-yl-1-(2-fluorophenyl)isoquinoline-3-carboxamide
CID 15740682
5-(2-chlorophenyl)-N-propan-2-ylpyridine-3-carboxamide
CID 46032150
4-[2-[butan-2-yl-[1-(2-chlorophenyl)isoquinoline-3-carbonyl]amino]ethylamino]-4-oxobutanoic acid
CID 10504954
1-chloro-N-(4-methylpentan-2-yl)isoquinoline-3-carboxamide
CID 43372252
4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide
CID 101112912
7-chloro-1-(2-chlorophenyl)isoquinoline-3-carboxamide
CID 70487205
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
2-(2,6-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319628
4-hydrazinyl-N-propan-2-ylquinoline-2-carboxamide
CID 63375107

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide (CID 10925336) is 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide is CC(C)N[11C](=O)c1c[11c]2ccccc2c(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide?
The InChIKey is IXGVEJHLTXUACD-WABHSLEKSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-12(2)21-19(23)17-11-13-7-3-4-8-14(13)18(22-17)15-9-5-6-10-16(15)20/h3-12H,1-2H3,(H,21,23)/i13-1,19-1.
What are the key properties of 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide?
1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide has a molecular weight of 322.81 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide is sourced from PubChem (CID 10925336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).