6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid

C15H9FN2O3 — CID 156788065

IUPAC6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid
SMILESO=C(O)c1cc2nc[nH]c(=O)c2cc1-c1cccc(F)c1
InChIInChI=1S/C15H9FN2O3/c16-9-3-1-2-8(4-9)10-5-12-13(6-11(10)15(20)21)17-7-18-14(12)19/h1-7H,(H,20,21)(H,17,18,19)
InChIKeyCZNGAMRIWSXNSB-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.43
Rot. Bonds2

About 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid

6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid (PubChem CID 156788065) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid
PubChem CID156788065
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid
SMILESO=C(O)c1cc2nc[nH]c(=O)c2cc1-c1cccc(F)c1
InChIInChI=1S/C15H9FN2O3/c16-9-3-1-2-8(4-9)10-5-12-13(6-11(10)15(20)21)17-7-18-14(12)19/h1-7H,(H,20,21)(H,17,18,19)
InChIKeyCZNGAMRIWSXNSB-UHFFFAOYSA-N
XLogP2.43
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-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

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid (CID 156788065) is 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid is O=C(O)c1cc2nc[nH]c(=O)c2cc1-c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid?
The InChIKey is CZNGAMRIWSXNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-9-3-1-2-8(4-9)10-5-12-13(6-11(10)15(20)21)17-7-18-14(12)19/h1-7H,(H,20,21)(H,17,18,19).
What are the key properties of 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid?
6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid has a molecular weight of 284.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-4-oxo-3H-quinazoline-7-carboxylic acid is sourced from PubChem (CID 156788065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).