2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide

C24H19ClN2O2 — CID 3128623

IUPAC2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H19ClN2O2/c1-2-29-19-13-11-18(12-14-19)26-24(28)21-15-23(16-7-9-17(25)10-8-16)27-22-6-4-3-5-20(21)22/h3-15H,2H2,1H3,(H,26,28)
InChIKeyVSTIGLKSOVVUOA-UHFFFAOYSA-N
MW402.88 g/mol
LogP6.21
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 3128623) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID3128623
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H19ClN2O2/c1-2-29-19-13-11-18(12-14-19)26-24(28)21-15-23(16-7-9-17(25)10-8-16)27-22-6-4-3-5-20(21)22/h3-15H,2H2,1H3,(H,26,28)
InChIKeyVSTIGLKSOVVUOA-UHFFFAOYSA-N
XLogP6.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458
N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 46098242
N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 2165739
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
N-(4-ethoxyphenyl)-6-ethyl-2-phenylquinoline-4-carboxamide
CID 3898421
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 3128623) is 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is VSTIGLKSOVVUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-2-29-19-13-11-18(12-14-19)26-24(28)21-15-23(16-7-9-17(25)10-8-16)27-22-6-4-3-5-20(21)22/h3-15H,2H2,1H3,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3128623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).