2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid

C17H12BrNO2 — CID 68919304

IUPAC2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid
SMILESCc1cc(-c2ccccc2Br)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C17H12BrNO2/c1-10-8-16(12-4-2-3-5-14(12)18)19-15-7-6-11(17(20)21)9-13(10)15/h2-9H,1H3,(H,20,21)
InChIKeyYCELGHNOKVSZIQ-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.67
Rot. Bonds2

About 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid

2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid (PubChem CID 68919304) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid
PubChem CID68919304
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid
SMILESCc1cc(-c2ccccc2Br)nc2ccc(C(=O)O)cc12
InChIInChI=1S/C17H12BrNO2/c1-10-8-16(12-4-2-3-5-14(12)18)19-15-7-6-11(17(20)21)9-13(10)15/h2-9H,1H3,(H,20,21)
InChIKeyYCELGHNOKVSZIQ-UHFFFAOYSA-N
XLogP4.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bromophenyl)-4-methylquinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 5276090
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169422573
6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 112562051
3-(2-bromophenyl)-4-fluorobenzoic acid
CID 107957461
4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
3-(2-bromophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82769763
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
2-amino-4-methylquinoline-7-carboxylic acid
CID 14359530
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
methyl 2-(2-bromophenyl)quinoline-7-carboxylate
CID 169130575

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid?
The IUPAC name of 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid (CID 68919304) is 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid?
The canonical SMILES for 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid is Cc1cc(-c2ccccc2Br)nc2ccc(C(=O)O)cc12.
What is the InChIKey of 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid?
The InChIKey is YCELGHNOKVSZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c1-10-8-16(12-4-2-3-5-14(12)18)19-15-7-6-11(17(20)21)9-13(10)15/h2-9H,1H3,(H,20,21).
What are the key properties of 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid?
2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 68919304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).