2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide

C24H19ClN2O3 — CID 5094767

IUPAC2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1
InChIInChI=1S/C24H19ClN2O3/c1-29-17-11-12-23(30-2)22(13-17)27-24(28)19-14-21(15-7-9-16(25)10-8-15)26-20-6-4-3-5-18(19)20/h3-14H,1-2H3,(H,27,28)
InChIKeyQUPGPPRUVHODKZ-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.82
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 5094767) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID5094767
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1
InChIInChI=1S/C24H19ClN2O3/c1-29-17-11-12-23(30-2)22(13-17)27-24(28)19-14-21(15-7-9-16(25)10-8-15)26-20-6-4-3-5-18(19)20/h3-14H,1-2H3,(H,27,28)
InChIKeyQUPGPPRUVHODKZ-UHFFFAOYSA-N
XLogP5.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4074181
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (CID 5094767) is 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is QUPGPPRUVHODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-29-17-11-12-23(30-2)22(13-17)27-24(28)19-14-21(15-7-9-16(25)10-8-15)26-20-6-4-3-5-18(19)20/h3-14H,1-2H3,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5094767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).