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

C25H21BrN2O — CID 163338403

IUPAC6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C25H21BrN2O/c1-15-8-7-9-16(2)23(15)28-25(29)22-17(3)24(18-10-5-4-6-11-18)27-21-13-12-19(26)14-20(21)22/h4-14H,1-3H3,(H,28,29)
InChIKeyGMIMYEIRTNDLHX-UHFFFAOYSA-N
MW445.36 g/mol
LogP6.84
Rot. Bonds3

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

6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 163338403) has the molecular formula C25H21BrN2O and a molecular weight of 445.36 g/mol. Its IUPAC name is 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID163338403
Molecular FormulaC25H21BrN2O
Molecular Weight445.36 g/mol
Exact Mass444.08
IUPAC Name6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C25H21BrN2O/c1-15-8-7-9-16(2)23(15)28-25(29)22-17(3)24(18-10-5-4-6-11-18)27-21-13-12-19(26)14-20(21)22/h4-14H,1-3H3,(H,28,29)
InChIKeyGMIMYEIRTNDLHX-UHFFFAOYSA-N
XLogP6.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.36
LogP ≤ 56.84
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-methylbenzoic acid
CID 118947974
ethyl 2-[3-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-2-methylphenyl]propanoate
CID 153407898
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-(trifluoromethyl)benzoic acid
CID 118948481
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
[2-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-fluoro-6-methoxyphenyl] butanoate
CID 175017103
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-(4-chlorophenyl)benzoic acid
CID 176682519
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
tert-butyl 6-bromo-3-methyl-2-phenylquinoline-4-carboxylate
CID 122551271
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-phenylbutanoic acid
CID 135357796
(2R)-3-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-2-fluoro-2-phenylpropanoic acid
CID 162679816
6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 162644141
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]benzoic acid
CID 176682537

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide (CID 163338403) is 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide is Cc1cccc(C)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is GMIMYEIRTNDLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O/c1-15-8-7-9-16(2)23(15)28-25(29)22-17(3)24(18-10-5-4-6-11-18)27-21-13-12-19(26)14-20(21)22/h4-14H,1-3H3,(H,28,29).
What are the key properties of 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 6.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-dimethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 163338403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).