6-cyano-4-oxo-1H-quinoline-2-carboxylic acid

C11H6N2O3 — CID 21099564

IUPAC6-cyano-4-oxo-1H-quinoline-2-carboxylic acid
SMILESN#Cc1ccc2[nH]c(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C11H6N2O3/c12-5-6-1-2-8-7(3-6)10(14)4-9(13-8)11(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyWWPIHIYRDBLORM-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.10
Rot. Bonds1

About 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid

6-cyano-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 21099564) has the molecular formula C11H6N2O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-cyano-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID21099564
Molecular FormulaC11H6N2O3
Molecular Weight214.18 g/mol
Exact Mass214.04
IUPAC Name6-cyano-4-oxo-1H-quinoline-2-carboxylic acid
SMILESN#Cc1ccc2[nH]c(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C11H6N2O3/c12-5-6-1-2-8-7(3-6)10(14)4-9(13-8)11(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyWWPIHIYRDBLORM-UHFFFAOYSA-N
XLogP1.10
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-cyano-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174758
4-oxo-6-propyl-1H-quinoline-2-carboxylic acid
CID 63375917
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347
7-cyano-4-oxochromene-2-carboxylic acid
CID 151758187
6-cyano-4-oxochromene-2-carboxylic acid
CID 122200604
9H-carbazole-3-carbonitrile
CID 21107343
8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
CID 63376945
7-chloro-6-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017490
3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid;6-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 174619588
6-[3-(methylsulfanylmethyl)phenyl]-4-oxo-1H-quinoline-2-carboxylic acid
CID 155969041
2,3-dimethyl-1H-indole-5-carbonitrile
CID 15483079
9H-carbazole-3-carbonitrile;hydrochloride
CID 153357556

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid (CID 21099564) is 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid is N#Cc1ccc2[nH]c(C(=O)O)cc(=O)c2c1.
What is the InChIKey of 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is WWPIHIYRDBLORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3/c12-5-6-1-2-8-7(3-6)10(14)4-9(13-8)11(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid?
6-cyano-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 21099564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).