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

C25H26ClN3O2 — CID 55879934

IUPAC6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc2cc(Cl)ccc2nc1C
InChIInChI=1S/C25H26ClN3O2/c1-15-12-17(24(30)28-20-6-4-3-5-7-20)8-10-22(15)29-25(31)21-14-18-13-19(26)9-11-23(18)27-16(21)2/h8-14,20H,3-7H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyFKDPAECBTSUULX-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.82
Rot. Bonds4

About 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide

6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide (PubChem CID 55879934) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide
PubChem CID55879934
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc2cc(Cl)ccc2nc1C
InChIInChI=1S/C25H26ClN3O2/c1-15-12-17(24(30)28-20-6-4-3-5-7-20)8-10-22(15)29-25(31)21-14-18-13-19(26)9-11-23(18)27-16(21)2/h8-14,20H,3-7H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyFKDPAECBTSUULX-UHFFFAOYSA-N
XLogP5.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55879301
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide (CID 55879934) is 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc2cc(Cl)ccc2nc1C.
What is the InChIKey of 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide?
The InChIKey is FKDPAECBTSUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-15-12-17(24(30)28-20-6-4-3-5-7-20)8-10-22(15)29-25(31)21-14-18-13-19(26)9-11-23(18)27-16(21)2/h8-14,20H,3-7H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide?
6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 55879934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).