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

C16H9Br2NO2 — CID 994225

IUPAC6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Br)nc2ccc(Br)cc12
InChIInChI=1S/C16H9Br2NO2/c17-9-5-6-14-11(7-9)12(16(20)21)8-15(19-14)10-3-1-2-4-13(10)18/h1-8H,(H,20,21)
InChIKeyZKFNAFHIFMSEOK-UHFFFAOYSA-N
MW407.06 g/mol
LogP5.12
Rot. Bonds2

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

6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid (PubChem CID 994225) has the molecular formula C16H9Br2NO2 and a molecular weight of 407.06 g/mol. Its IUPAC name is 6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
PubChem CID994225
Molecular FormulaC16H9Br2NO2
Molecular Weight407.06 g/mol
Exact Mass404.90
IUPAC Name6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Br)nc2ccc(Br)cc12
InChIInChI=1S/C16H9Br2NO2/c17-9-5-6-14-11(7-9)12(16(20)21)8-15(19-14)10-3-1-2-4-13(10)18/h1-8H,(H,20,21)
InChIKeyZKFNAFHIFMSEOK-UHFFFAOYSA-N
XLogP5.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.06
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
CID 91689273
6-bromo-2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)quinoline-4-carboxylic acid
CID 58487630
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-5-yl)quinoline-4-carboxylic acid
CID 3674997
2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid
CID 68919304
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
3-(7-bromo-4-carboxyquinolin-2-yl)naphthalen-2-olate
CID 135827965
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid (CID 994225) is 6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2Br)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid?
The InChIKey is ZKFNAFHIFMSEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2NO2/c17-9-5-6-14-11(7-9)12(16(20)21)8-15(19-14)10-3-1-2-4-13(10)18/h1-8H,(H,20,21).
What are the key properties of 6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid?
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid has a molecular weight of 407.06 g/mol, XLogP of 5.12, 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-bromophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 994225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).