6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

C25H20BrClN2O2 — CID 19646659

IUPAC6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(Br)cc12
InChIInChI=1S/C25H20BrClN2O2/c1-14-4-6-16(7-5-14)21-13-20(19-11-17(26)10-15(2)24(19)28-21)25(30)29-22-12-18(27)8-9-23(22)31-3/h4-13H,1-3H3,(H,29,30)
InChIKeyPJFGLLRWBDUWDC-UHFFFAOYSA-N
MW495.80 g/mol
LogP7.20
Rot. Bonds4

About 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide

6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 19646659) has the molecular formula C25H20BrClN2O2 and a molecular weight of 495.80 g/mol. Its IUPAC name is 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID19646659
Molecular FormulaC25H20BrClN2O2
Molecular Weight495.80 g/mol
Exact Mass494.04
IUPAC Name6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(Br)cc12
InChIInChI=1S/C25H20BrClN2O2/c1-14-4-6-16(7-5-14)21-13-20(19-11-17(26)10-15(2)24(19)28-21)25(30)29-22-12-18(27)8-9-23(22)31-3/h4-13H,1-3H3,(H,29,30)
InChIKeyPJFGLLRWBDUWDC-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

2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide
CID 5092601
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4217087
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 19646659) is 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(Br)cc12.
What is the InChIKey of 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is PJFGLLRWBDUWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrClN2O2/c1-14-4-6-16(7-5-14)21-13-20(19-11-17(26)10-15(2)24(19)28-21)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 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide?
6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-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 6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19646659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).