2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide

C25H20BrClN2O2 — CID 17261439

IUPAC2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C25H20BrClN2O2/c1-14-10-15(2)24-19(11-14)20(13-21(28-24)16-4-6-17(26)7-5-16)25(30)29-22-12-18(27)8-9-23(22)31-3/h4-13H,1-3H3,(H,29,30)
InChIKeyWRAOLQGYARXLNY-UHFFFAOYSA-N
MW495.80 g/mol
LogP7.20
Rot. Bonds4

About 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide

2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 17261439) has the molecular formula C25H20BrClN2O2 and a molecular weight of 495.80 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID17261439
Molecular FormulaC25H20BrClN2O2
Molecular Weight495.80 g/mol
Exact Mass494.04
IUPAC Name2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12
InChIInChI=1S/C25H20BrClN2O2/c1-14-10-15(2)24-19(11-14)20(13-21(28-24)16-4-6-17(26)7-5-16)25(30)29-22-12-18(27)8-9-23(22)31-3/h4-13H,1-3H3,(H,29,30)
InChIKeyWRAOLQGYARXLNY-UHFFFAOYSA-N
XLogP7.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.80
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646659
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(4-bromo-2-ethylphenyl)-2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258303
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide (CID 17261439) is 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is WRAOLQGYARXLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrClN2O2/c1-14-10-15(2)24-19(11-14)20(13-21(28-24)16-4-6-17(26)7-5-16)25(30)29-22-12-18(27)8-9-23(22)31-3/h4-13H,1-3H3,(H,29,30).
What are the key properties of 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 495.80 g/mol, XLogP of 7.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 17261439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).