2-oxo-1H-quinazoline-6-carboxylic acid

C9H6N2O3 — CID 141121485

IUPAC2-oxo-1H-quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)ncc2c1
InChIInChI=1S/C9H6N2O3/c12-8(13)5-1-2-7-6(3-5)4-10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14)
InChIKeyKJRFKNFZTMTSAS-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.62
Rot. Bonds1

About 2-oxo-1H-quinazoline-6-carboxylic acid

2-oxo-1H-quinazoline-6-carboxylic acid (PubChem CID 141121485) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 2-oxo-1H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1H-quinazoline-6-carboxylic acid
PubChem CID141121485
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name2-oxo-1H-quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)ncc2c1
InChIInChI=1S/C9H6N2O3/c12-8(13)5-1-2-7-6(3-5)4-10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14)
InChIKeyKJRFKNFZTMTSAS-UHFFFAOYSA-N
XLogP0.62
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Aminocarbonyl)amino)benzoic acid
CID 80564
4-[(Phenylcarbamoyl)amino]benzoic acid
CID 231278
4-(3,3-Dimethylureido)benzoic acid
CID 350217
4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid
CID 352384
4-{[(2E)-2-(hydroxyimino)ethanoyl]amino}benzoic acid
CID 6900884
2-Oxo-1,2-dihydroquinoline-6-carboxylic acid
CID 13342168
4-(Acetylamino)-3-methylbenzoic acid
CID 3015948
4-[(5-hydroxy-2-oxo-3-phenyl-1H-imidazol-4-yl)methylideneamino]benzoic acid
CID 4409556
3,5-diethyl-4-[(N'-ethylcarbamimidoyl)carbamoylamino]benzoic acid
CID 166630945
4-[(Methylcarbamoyl)amino]benzoic acid
CID 306238
Benzoic acid, 4-(acetylamino)-3-(2-aminoethyl)-
CID 506091
4-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzoic acid
CID 136240918

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-quinazoline-6-carboxylic acid?
The IUPAC name of 2-oxo-1H-quinazoline-6-carboxylic acid (CID 141121485) is 2-oxo-1H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 2-oxo-1H-quinazoline-6-carboxylic acid?
The canonical SMILES for 2-oxo-1H-quinazoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)ncc2c1.
What is the InChIKey of 2-oxo-1H-quinazoline-6-carboxylic acid?
The InChIKey is KJRFKNFZTMTSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8(13)5-1-2-7-6(3-5)4-10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14).
What are the key properties of 2-oxo-1H-quinazoline-6-carboxylic acid?
2-oxo-1H-quinazoline-6-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 141121485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).