6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid

C17H12BrNO2 — CID 3972726

IUPAC6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccccc1-c1cc(C(=O)O)c2cc(Br)ccc2n1
InChIInChI=1S/C17H12BrNO2/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-8-11(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyPMFFCXZVVAWKCB-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.67
Rot. Bonds2

About 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid

6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 3972726) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
PubChem CID3972726
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccccc1-c1cc(C(=O)O)c2cc(Br)ccc2n1
InChIInChI=1S/C17H12BrNO2/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-8-11(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyPMFFCXZVVAWKCB-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

6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
CID 143490047
6-bromo-2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)quinoline-4-carboxylic acid
CID 58487630
6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 4747845
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
CID 91689273
6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16772352
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-5-yl)quinoline-4-carboxylic acid
CID 3674997
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
2-(2,5-dibromophenyl)-8-methylquinoline-4-carboxylic acid
CID 50889207

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid (CID 3972726) is 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid is Cc1ccccc1-c1cc(C(=O)O)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is PMFFCXZVVAWKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-8-11(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21).
What are the key properties of 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid?
6-bromo-2-(2-methylphenyl)quinoline-4-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 6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3972726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).