8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid

C17H10ClNO4 — CID 90673417

IUPAC8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(Cl)cc(C(=O)c3ccccc3)c2[nH]1
InChIInChI=1S/C17H10ClNO4/c18-10-6-11-14(20)8-13(17(22)23)19-15(11)12(7-10)16(21)9-4-2-1-3-5-9/h1-8H,(H,19,20)(H,22,23)
InChIKeyUICIXFDINDOWCF-UHFFFAOYSA-N
MW327.72 g/mol
LogP3.11
Rot. Bonds3

About 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid

8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 90673417) has the molecular formula C17H10ClNO4 and a molecular weight of 327.72 g/mol. Its IUPAC name is 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID90673417
Molecular FormulaC17H10ClNO4
Molecular Weight327.72 g/mol
Exact Mass327.03
IUPAC Name8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(Cl)cc(C(=O)c3ccccc3)c2[nH]1
InChIInChI=1S/C17H10ClNO4/c18-10-6-11-14(20)8-13(17(22)23)19-15(11)12(7-10)16(21)9-4-2-1-3-5-9/h1-8H,(H,19,20)(H,22,23)
InChIKeyUICIXFDINDOWCF-UHFFFAOYSA-N
XLogP3.11
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
CID 63376604
7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid
CID 12908178
8-chloro-6-iodo-4-oxo-1H-quinoline-2-carboxylic acid
CID 107608030
7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 63376863
5-(4-chlorophenyl)-8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid;8-hydroxy-4-oxo-5-phenyl-1H-quinoline-2-carboxylic acid;8-hydroxy-4-oxo-6-phenyl-1H-quinoline-2-carboxylic acid
CID 161488647
(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
CID 125473458
methyl 8-(4-methylbenzoyl)-4-oxo-1H-quinoline-2-carboxylate
CID 90673430
5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 1779
6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017454
6-chloro-4-phenyl-1H-indole-2-carboxylic acid
CID 135358555
(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone
CID 71699443
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid (CID 90673417) is 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(Cl)cc(C(=O)c3ccccc3)c2[nH]1.
What is the InChIKey of 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is UICIXFDINDOWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO4/c18-10-6-11-14(20)8-13(17(22)23)19-15(11)12(7-10)16(21)9-4-2-1-3-5-9/h1-8H,(H,19,20)(H,22,23).
What are the key properties of 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid?
8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 327.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 90673417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).