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

C16H9BrClNO3 — CID 14498163

IUPAC6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H9BrClNO3/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(19-12)8-1-4-10(18)5-2-8/h1-7,20H,(H,21,22)
InChIKeyQBBWBKLCVRPOEI-UHFFFAOYSA-N
MW378.61 g/mol
LogP4.72
Rot. Bonds2

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

6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid (PubChem CID 14498163) has the molecular formula C16H9BrClNO3 and a molecular weight of 378.61 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid
PubChem CID14498163
Molecular FormulaC16H9BrClNO3
Molecular Weight378.61 g/mol
Exact Mass376.95
IUPAC Name6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H9BrClNO3/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(19-12)8-1-4-10(18)5-2-8/h1-7,20H,(H,21,22)
InChIKeyQBBWBKLCVRPOEI-UHFFFAOYSA-N
XLogP4.72
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid (CID 14498163) is 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid is O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid?
The InChIKey is QBBWBKLCVRPOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClNO3/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(19-12)8-1-4-10(18)5-2-8/h1-7,20H,(H,21,22).
What are the key properties of 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid?
6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid has a molecular weight of 378.61 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid is sourced from PubChem (CID 14498163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).