4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide

C24H24ClN3O2 — CID 15995078

IUPAC4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cnc(C(=O)NC3CCCCC3)c3ccccc23)cc1Cl
InChIInChI=1S/C24H24ClN3O2/c1-15-11-12-17(13-21(15)25)28-23(29)20-14-26-22(19-10-6-5-9-18(19)20)24(30)27-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,27,30)(H,28,29)
InChIKeyKUQGNUCKMOHSNQ-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.51
Rot. Bonds4

About 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide

4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide (PubChem CID 15995078) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide
PubChem CID15995078
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cnc(C(=O)NC3CCCCC3)c3ccccc23)cc1Cl
InChIInChI=1S/C24H24ClN3O2/c1-15-11-12-17(13-21(15)25)28-23(29)20-14-26-22(19-10-6-5-9-18(19)20)24(30)27-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,27,30)(H,28,29)
InChIKeyKUQGNUCKMOHSNQ-UHFFFAOYSA-N
XLogP5.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
CID 22334443
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
1-(3-chloro-4-methylanilino)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]isoquinoline-4-carboxamide
CID 92653125
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
CID 87032124
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078522
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide (CID 15995078) is 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide is Cc1ccc(NC(=O)c2cnc(C(=O)NC3CCCCC3)c3ccccc23)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide?
The InChIKey is KUQGNUCKMOHSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-15-11-12-17(13-21(15)25)28-23(29)20-14-26-22(19-10-6-5-9-18(19)20)24(30)27-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide?
4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide has a molecular weight of 421.93 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-1-N-cyclohexylisoquinoline-1,4-dicarboxamide is sourced from PubChem (CID 15995078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).