6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide

C25H20Br2N2O — CID 4595679

IUPAC6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(Br)ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1C
InChIInChI=1S/C25H20Br2N2O/c1-14-11-18(26)12-19-20(13-23(28-24(14)19)17-7-5-4-6-8-17)25(30)29-22-10-9-21(27)15(2)16(22)3/h4-13H,1-3H3,(H,29,30)
InChIKeyJCLUVFLJGRURKH-UHFFFAOYSA-N
MW524.26 g/mol
LogP7.60
Rot. Bonds3

About 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide

6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 4595679) has the molecular formula C25H20Br2N2O and a molecular weight of 524.26 g/mol. Its IUPAC name is 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
PubChem CID4595679
Molecular FormulaC25H20Br2N2O
Molecular Weight524.26 g/mol
Exact Mass521.99
IUPAC Name6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(Br)ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1C
InChIInChI=1S/C25H20Br2N2O/c1-14-11-18(26)12-19-20(13-23(28-24(14)19)17-7-5-4-6-8-17)25(30)29-22-10-9-21(27)15(2)16(22)3/h4-13H,1-3H3,(H,29,30)
InChIKeyJCLUVFLJGRURKH-UHFFFAOYSA-N
XLogP7.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.26
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
6-bromo-N-(2,6-dimethylphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4217087
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
6-bromo-2-(4-chlorophenyl)-N-(4-iodophenyl)-8-methylquinoline-4-carboxamide
CID 5092601
6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646659
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide (CID 4595679) is 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide is Cc1c(Br)ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1C.
What is the InChIKey of 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is JCLUVFLJGRURKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Br2N2O/c1-14-11-18(26)12-19-20(13-23(28-24(14)19)17-7-5-4-6-8-17)25(30)29-22-10-9-21(27)15(2)16(22)3/h4-13H,1-3H3,(H,29,30).
What are the key properties of 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide?
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 524.26 g/mol, XLogP of 7.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4595679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).