1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide

C20H19ClN2O — CID 141187748

IUPAC1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide
SMILESCC(C)CNC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1
InChIInChI=1S/C20H19ClN2O/c1-13(2)12-22-20(24)18-11-14-7-3-4-8-15(14)19(23-18)16-9-5-6-10-17(16)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyAXPMWNHKSRHCKP-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.94
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide

1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide (PubChem CID 141187748) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide
PubChem CID141187748
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide
SMILESCC(C)CNC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1
InChIInChI=1S/C20H19ClN2O/c1-13(2)12-22-20(24)18-11-14-7-3-4-8-15(14)19(23-18)16-9-5-6-10-17(16)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyAXPMWNHKSRHCKP-UHFFFAOYSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-(3-methylbutyl)isoquinoline-3-carboxamide
CID 59672249
1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide
CID 10925336
N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide
CID 10947695
N-(2-methylpropyl)-1-(propylamino)isoquinoline-3-carboxamide
CID 62172724
4-[2-[butan-2-yl-[1-(2-chlorophenyl)isoquinoline-3-carbonyl]amino]ethylamino]-4-oxobutanoic acid
CID 10504954
N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 110848375
1-chloro-N-(2-ethoxypropyl)isoquinoline-3-carboxamide
CID 115649059
N-butan-2-yl-1-(2-fluorophenyl)isoquinoline-3-carboxamide
CID 15740682
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
N-(6-acetamidohexyl)-1-(2-methylphenyl)isoquinoline-3-carboxamide
CID 59383470
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide (CID 141187748) is 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide is CC(C)CNC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide?
The InChIKey is AXPMWNHKSRHCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-13(2)12-22-20(24)18-11-14-7-3-4-8-15(14)19(23-18)16-9-5-6-10-17(16)21/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide?
1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-methylpropyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 141187748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).