6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid

C18H14BrNO3 — CID 176682695

IUPAC6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
SMILESCOc1ccccc1-c1nc2ccc(Br)cc2c(C(=O)O)c1C
InChIInChI=1S/C18H14BrNO3/c1-10-16(18(21)22)13-9-11(19)7-8-14(13)20-17(10)12-5-3-4-6-15(12)23-2/h3-9H,1-2H3,(H,21,22)
InChIKeyRKFRSJMAPQMGII-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.68
Rot. Bonds3

About 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid

6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid (PubChem CID 176682695) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
PubChem CID176682695
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Name6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
SMILESCOc1ccccc1-c1nc2ccc(Br)cc2c(C(=O)O)c1C
InChIInChI=1S/C18H14BrNO3/c1-10-16(18(21)22)13-9-11(19)7-8-14(13)20-17(10)12-5-3-4-6-15(12)23-2/h3-9H,1-2H3,(H,21,22)
InChIKeyRKFRSJMAPQMGII-UHFFFAOYSA-N
XLogP4.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-methyl-2-[3-methyl-2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 152718657
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid
CID 177209314
(2S)-3-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-2-(2-methoxyphenyl)propanoic acid
CID 162679798
6-bromo-3-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 159151175
(2S)-3-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-2-hydroxy-2-(2-methoxyphenyl)propanoic acid
CID 162679827
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-(2-methoxyphenyl)butanoic acid
CID 135358158
tert-butyl 6-bromo-3-methyl-2-phenylquinoline-4-carboxylate
CID 122551271
(3R)-4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-(2-methoxyphenyl)-3-methylbutanoic acid
CID 162679872
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
(3R)-4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-2,2-difluoro-3-(2-methoxyphenyl)butanoic acid
CID 162679885
methyl 7-bromo-1,3-dimethoxyacridine-9-carboxylate
CID 3148947

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid (CID 176682695) is 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid is COc1ccccc1-c1nc2ccc(Br)cc2c(C(=O)O)c1C.
What is the InChIKey of 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid?
The InChIKey is RKFRSJMAPQMGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c1-10-16(18(21)22)13-9-11(19)7-8-14(13)20-17(10)12-5-3-4-6-15(12)23-2/h3-9H,1-2H3,(H,21,22).
What are the key properties of 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid?
6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid has a molecular weight of 372.22 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 176682695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).