4-oxo-3H-quinazoline-6-carboxylic acid

C9H6N2O3 — CID 135703881

IUPAC4-oxo-3H-quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C9H6N2O3/c12-8-6-3-5(9(13)14)1-2-7(6)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyWARFZQDQEUGANF-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.62
Rot. Bonds1

About 4-oxo-3H-quinazoline-6-carboxylic acid

4-oxo-3H-quinazoline-6-carboxylic acid (PubChem CID 135703881) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-oxo-3H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3H-quinazoline-6-carboxylic acid
PubChem CID135703881
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name4-oxo-3H-quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C9H6N2O3/c12-8-6-3-5(9(13)14)1-2-7(6)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyWARFZQDQEUGANF-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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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-quinazoline-6-carboxylic acid?
The IUPAC name of 4-oxo-3H-quinazoline-6-carboxylic acid (CID 135703881) is 4-oxo-3H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 4-oxo-3H-quinazoline-6-carboxylic acid?
The canonical SMILES for 4-oxo-3H-quinazoline-6-carboxylic acid is O=C(O)c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 4-oxo-3H-quinazoline-6-carboxylic acid?
The InChIKey is WARFZQDQEUGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8-6-3-5(9(13)14)1-2-7(6)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12).
What are the key properties of 4-oxo-3H-quinazoline-6-carboxylic acid?
4-oxo-3H-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 4-oxo-3H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 135703881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).