6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid

C16H9BrClNO2 — CID 3972728

IUPAC6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(Br)cc12
InChIInChI=1S/C16H9BrClNO2/c17-10-4-5-14-12(7-10)13(16(20)21)8-15(19-14)9-2-1-3-11(18)6-9/h1-8H,(H,20,21)
InChIKeyFZXGXUTVNSUFMI-UHFFFAOYSA-N
MW362.61 g/mol
LogP5.02
Rot. Bonds2

About 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid

6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid (PubChem CID 3972728) has the molecular formula C16H9BrClNO2 and a molecular weight of 362.61 g/mol. Its IUPAC name is 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
PubChem CID3972728
Molecular FormulaC16H9BrClNO2
Molecular Weight362.61 g/mol
Exact Mass360.95
IUPAC Name6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(Br)cc12
InChIInChI=1S/C16H9BrClNO2/c17-10-4-5-14-12(7-10)13(16(20)21)8-15(19-14)9-2-1-3-11(18)6-9/h1-8H,(H,20,21)
InChIKeyFZXGXUTVNSUFMI-UHFFFAOYSA-N
XLogP5.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.61
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3536626
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
6-bromo-2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxylic acid
CID 53495399
6-bromo-2-[3-(2,2-dicyanoethenylamino)phenyl]quinoline-4-carboxylic acid
CID 168543505
6-bromo-2-[3-(1,2,2-tricyanoethenylamino)phenyl]quinoline-4-carboxylic acid
CID 168608649
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid (CID 3972728) is 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid?
The InChIKey is FZXGXUTVNSUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClNO2/c17-10-4-5-14-12(7-10)13(16(20)21)8-15(19-14)9-2-1-3-11(18)6-9/h1-8H,(H,20,21).
What are the key properties of 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid?
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid has a molecular weight of 362.61 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3972728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).