N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide

C24H24ClN3O2 — CID 87032124

IUPACN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H24ClN3O2/c1-15-19(13-16-7-5-6-10-22(16)26-15)23(29)28-18-11-12-21(25)20(14-18)24(30)27-17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9H2,1H3,(H,27,30)(H,28,29)
InChIKeyPDWUKOVPCAAFQB-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.51
Rot. Bonds4

About N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide (PubChem CID 87032124) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
PubChem CID87032124
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H24ClN3O2/c1-15-19(13-16-7-5-6-10-22(16)26-15)23(29)28-18-11-12-21(25)20(14-18)24(30)27-17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9H2,1H3,(H,27,30)(H,28,29)
InChIKeyPDWUKOVPCAAFQB-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

N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55805245
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
6-chloro-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 55905622
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide (CID 87032124) is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide?
The InChIKey is PDWUKOVPCAAFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-15-19(13-16-7-5-6-10-22(16)26-15)23(29)28-18-11-12-21(25)20(14-18)24(30)27-17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide?
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide 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 N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 87032124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).