2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide

C24H19ClN2O — CID 5128996

IUPAC2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C24H19ClN2O/c1-15-8-7-9-16(2)23(15)27-24(28)19-14-22(18-11-3-5-12-20(18)25)26-21-13-6-4-10-17(19)21/h3-14H,1-2H3,(H,27,28)
InChIKeyUUNPWHQZNXRAPP-UHFFFAOYSA-N
MW386.88 g/mol
LogP6.42
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide

2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 5128996) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
PubChem CID5128996
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C24H19ClN2O/c1-15-8-7-9-16(2)23(15)27-24(28)19-14-22(18-11-3-5-12-20(18)25)26-21-13-6-4-10-17(19)21/h3-14H,1-2H3,(H,27,28)
InChIKeyUUNPWHQZNXRAPP-UHFFFAOYSA-N
XLogP6.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512043
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 2965571
N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 166212360
N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511727
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide
CID 166364697
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
2-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)quinoline-4-carboxamide
CID 4198471

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide (CID 5128996) is 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is UUNPWHQZNXRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-15-8-7-9-16(2)23(15)27-24(28)19-14-22(18-11-3-5-12-20(18)25)26-21-13-6-4-10-17(19)21/h3-14H,1-2H3,(H,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5128996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).