2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide

C27H25ClN2O — CID 17261456

IUPAC2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c(C)c1
InChIInChI=1S/C27H25ClN2O/c1-15-6-11-23(17(3)12-15)29-27(31)24-19(5)26(20-7-9-21(28)10-8-20)30-25-18(4)13-16(2)14-22(24)25/h6-14H,1-5H3,(H,29,31)
InChIKeySCJRPBVQDLYVQE-UHFFFAOYSA-N
MW428.96 g/mol
LogP7.35
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide

2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 17261456) has the molecular formula C27H25ClN2O and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID17261456
Molecular FormulaC27H25ClN2O
Molecular Weight428.96 g/mol
Exact Mass428.17
IUPAC Name2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c(C)c1
InChIInChI=1S/C27H25ClN2O/c1-15-6-11-23(17(3)12-15)29-27(31)24-19(5)26(20-7-9-21(28)10-8-20)30-25-18(4)13-16(2)14-22(24)25/h6-14H,1-5H3,(H,29,31)
InChIKeySCJRPBVQDLYVQE-UHFFFAOYSA-N
XLogP7.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647942
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647961
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648097
N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647989
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648018
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 17261456) is 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide is Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is SCJRPBVQDLYVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O/c1-15-6-11-23(17(3)12-15)29-27(31)24-19(5)26(20-7-9-21(28)10-8-20)30-25-18(4)13-16(2)14-22(24)25/h6-14H,1-5H3,(H,29,31).
What are the key properties of 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 7.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 17261456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).