6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide

C22H13BrCl2N2O — CID 175017048

IUPAC6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(Cl)c(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C22H13BrCl2N2O/c23-14-6-11-18-17(12-14)19(22(28)26-16-9-7-15(24)8-10-16)20(25)21(27-18)13-4-2-1-3-5-13/h1-12H,(H,26,28)
InChIKeyDERDFIKANPPAQK-UHFFFAOYSA-N
MW472.17 g/mol
LogP7.22
Rot. Bonds3

About 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide

6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide (PubChem CID 175017048) has the molecular formula C22H13BrCl2N2O and a molecular weight of 472.17 g/mol. Its IUPAC name is 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide
PubChem CID175017048
Molecular FormulaC22H13BrCl2N2O
Molecular Weight472.17 g/mol
Exact Mass469.96
IUPAC Name6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(Cl)c(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C22H13BrCl2N2O/c23-14-6-11-18-17(12-14)19(22(28)26-16-9-7-15(24)8-10-16)20(25)21(27-18)13-4-2-1-3-5-13/h1-12H,(H,26,28)
InChIKeyDERDFIKANPPAQK-UHFFFAOYSA-N
XLogP7.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.17
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-(4-chlorophenyl)benzoic acid
CID 176682519
5-[(6-bromo-3-chloro-2-phenylquinoline-4-carbonyl)amino]-4-(2-chlorophenyl)pentanoic acid
CID 135357230
6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 163338403
3-[(6-bromo-4-phenylquinazolin-2-yl)amino]-N-phenylbenzamide
CID 4276068
6-bromo-N-(4-chlorophenyl)-3-methyl-2-(1,4-oxazepan-4-yl)quinoline-4-carboxamide
CID 175333756
ethyl 5-[(6-bromo-3-chloro-2-phenylquinoline-4-carbonyl)amino]bicyclo[3.2.2]nonane-1-carboxylate
CID 122551298
(4R)-5-[(6-bromo-3-chloro-2-phenylquinoline-4-carbonyl)amino]-4-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 162679931
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
[2-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-5-chlorophenyl] pentanoate
CID 175016679
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-methylbenzoic acid
CID 118947974
N-(2-benzoyl-4-bromophenyl)-4-[(6-chloro-4-phenylquinazolin-2-yl)amino]benzamide
CID 3393885
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide (CID 175017048) is 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1c(Cl)c(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is DERDFIKANPPAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrCl2N2O/c23-14-6-11-18-17(12-14)19(22(28)26-16-9-7-15(24)8-10-16)20(25)21(27-18)13-4-2-1-3-5-13/h1-12H,(H,26,28).
What are the key properties of 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide?
6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 472.17 g/mol, XLogP of 7.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-N-(4-chlorophenyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 175017048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).