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

C24H19ClN2O3 — CID 4150006

IUPACN-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H19ClN2O3/c1-29-17-11-12-19(23(13-17)30-2)22-14-20(18-5-3-4-6-21(18)27-22)24(28)26-16-9-7-15(25)8-10-16/h3-14H,1-2H3,(H,26,28)
InChIKeyHVSXQQJFBLKXEF-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.82
Rot. Bonds5

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

N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 4150006) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID4150006
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC NameN-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H19ClN2O3/c1-29-17-11-12-19(23(13-17)30-2)22-14-20(18-5-3-4-6-21(18)27-22)24(28)26-16-9-7-15(25)8-10-16/h3-14H,1-2H3,(H,26,28)
InChIKeyHVSXQQJFBLKXEF-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

methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 4150006) is N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is HVSXQQJFBLKXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-29-17-11-12-19(23(13-17)30-2)22-14-20(18-5-3-4-6-21(18)27-22)24(28)26-16-9-7-15(25)8-10-16/h3-14H,1-2H3,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-(4-chlorophenyl)-2-(2,4-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 N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4150006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).