quinazoline-2-carboxylate

C9H5N2O2- — CID 19006949

IUPACquinazoline-2-carboxylate
SMILESO=C([O-])c1ncc2ccccc2n1
InChIInChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)/p-1
InChIKeyOKXPYKHKJCATPX-UHFFFAOYSA-M
MW173.15 g/mol
LogP-0.01
Rot. Bonds1

About quinazoline-2-carboxylate

quinazoline-2-carboxylate (PubChem CID 19006949) has the molecular formula C9H5N2O2- and a molecular weight of 173.15 g/mol. Its IUPAC name is quinazoline-2-carboxylate.

Molecular Properties

Compound Namequinazoline-2-carboxylate
PubChem CID19006949
Molecular FormulaC9H5N2O2-
Molecular Weight173.15 g/mol
Exact Mass173.04
IUPAC Namequinazoline-2-carboxylate
SMILESO=C([O-])c1ncc2ccccc2n1
InChIInChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)/p-1
InChIKeyOKXPYKHKJCATPX-UHFFFAOYSA-M
XLogP-0.01
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze quinazoline-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of quinazoline-2-carboxylate?
The IUPAC name of quinazoline-2-carboxylate (CID 19006949) is quinazoline-2-carboxylate.
What is the SMILES notation for quinazoline-2-carboxylate?
The canonical SMILES for quinazoline-2-carboxylate is O=C([O-])c1ncc2ccccc2n1.
What is the InChIKey of quinazoline-2-carboxylate?
The InChIKey is OKXPYKHKJCATPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)/p-1.
What are the key properties of quinazoline-2-carboxylate?
quinazoline-2-carboxylate has a molecular weight of 173.15 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-2-carboxylate is sourced from PubChem (CID 19006949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).