2-bromo-4-quinolin-2-ylbenzoic acid

C16H10BrNO2 — CID 139922205

IUPAC2-bromo-4-quinolin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc3ccccc3n2)cc1Br
InChIInChI=1S/C16H10BrNO2/c17-13-9-11(5-7-12(13)16(19)20)15-8-6-10-3-1-2-4-14(10)18-15/h1-9H,(H,19,20)
InChIKeyWNGGSOOOXYGYSB-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.36
Rot. Bonds2

About 2-bromo-4-quinolin-2-ylbenzoic acid

2-bromo-4-quinolin-2-ylbenzoic acid (PubChem CID 139922205) has the molecular formula C16H10BrNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-bromo-4-quinolin-2-ylbenzoic acid.

Molecular Properties

Compound Name2-bromo-4-quinolin-2-ylbenzoic acid
PubChem CID139922205
Molecular FormulaC16H10BrNO2
Molecular Weight328.17 g/mol
Exact Mass326.99
IUPAC Name2-bromo-4-quinolin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc3ccccc3n2)cc1Br
InChIInChI=1S/C16H10BrNO2/c17-13-9-11(5-7-12(13)16(19)20)15-8-6-10-3-1-2-4-14(10)18-15/h1-9H,(H,19,20)
InChIKeyWNGGSOOOXYGYSB-UHFFFAOYSA-N
XLogP4.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-quinolin-2-ylphenyl)ethanone
CID 116645015
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
iridium;tris(2-phenylquinoline)
CID 122129463
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
1-(4-quinolin-2-ylphenyl)ethanone
CID 39226651
2-bromo-4-naphthalen-2-yloxybenzoic acid
CID 107282443
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
3,5-bis[2-(4-quinolin-2-ylphenyl)phenyl]benzoyl chloride;methane
CID 160911064
5-methoxy-2-quinolin-2-ylbenzoic acid
CID 116644950
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
3-quinolin-2-ylbenzohydrazide
CID 174752965

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-quinolin-2-ylbenzoic acid?
The IUPAC name of 2-bromo-4-quinolin-2-ylbenzoic acid (CID 139922205) is 2-bromo-4-quinolin-2-ylbenzoic acid.
What is the SMILES notation for 2-bromo-4-quinolin-2-ylbenzoic acid?
The canonical SMILES for 2-bromo-4-quinolin-2-ylbenzoic acid is O=C(O)c1ccc(-c2ccc3ccccc3n2)cc1Br.
What is the InChIKey of 2-bromo-4-quinolin-2-ylbenzoic acid?
The InChIKey is WNGGSOOOXYGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2/c17-13-9-11(5-7-12(13)16(19)20)15-8-6-10-3-1-2-4-14(10)18-15/h1-9H,(H,19,20).
What are the key properties of 2-bromo-4-quinolin-2-ylbenzoic acid?
2-bromo-4-quinolin-2-ylbenzoic acid has a molecular weight of 328.17 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-quinolin-2-ylbenzoic acid is sourced from PubChem (CID 139922205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).