8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid

C11H7ClN2O4 — CID 71077296

IUPAC8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNC(=O)c1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C11H7ClN2O4/c12-5-1-4-2-7(11(17)18)10(16)14-8(4)6(3-5)9(13)15/h1-3H,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyVMKCDACIVVYWMI-UHFFFAOYSA-N
MW266.64 g/mol
LogP0.98
Rot. Bonds2

About 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid

8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 71077296) has the molecular formula C11H7ClN2O4 and a molecular weight of 266.64 g/mol. Its IUPAC name is 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID71077296
Molecular FormulaC11H7ClN2O4
Molecular Weight266.64 g/mol
Exact Mass266.01
IUPAC Name8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESNC(=O)c1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C11H7ClN2O4/c12-5-1-4-2-7(11(17)18)10(16)14-8(4)6(3-5)9(13)15/h1-3H,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyVMKCDACIVVYWMI-UHFFFAOYSA-N
XLogP0.98
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Benzoyl-4-chloroanilino)-4-oxobut-2-enoic acid
CID 5383857
(Z)-4-((2-benzoyl-4-chlorophenyl)amino)-4-oxobut-2-enoic acid
CID 16645390
6-Chloro-2-hydroxy-quinoline-3-carboxylic acid
CID 6501539
6-chloro-2-oxo-8-[[[2-(2,3,5-trifluorophenyl)acetyl]amino]methyl]-1H-quinoline-3-carboxylic acid
CID 71077213
6-chloro-8-[[[2-(2-fluoro-5-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077223
6-chloro-8-[[[2-(2,6-difluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077230
6-chloro-8-[[[2-(3-fluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077263
6-chloro-2-oxo-8-[[[2-(2,4,6-trifluorophenyl)acetyl]amino]methyl]-1H-quinoline-3-carboxylic acid
CID 71077277
6-chloro-8-[[[2-[2-fluoro-3-(trifluoromethyl)phenyl]acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077302
6-chloro-8-[1-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077318
6-chloro-8-[[[2-(2,5-difluorophenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077324
6-chloro-8-[[[2-[2-fluoro-5-(trifluoromethyl)phenyl]acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077325

Frequently Asked Questions

What is the IUPAC name of 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid (CID 71077296) is 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid is NC(=O)c1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12.
What is the InChIKey of 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is VMKCDACIVVYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O4/c12-5-1-4-2-7(11(17)18)10(16)14-8(4)6(3-5)9(13)15/h1-3H,(H2,13,15)(H,14,16)(H,17,18).
What are the key properties of 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid?
8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 266.64 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 71077296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).