4-(4-oxoquinazolin-3-yl)benzoic acid

C15H10N2O3 — CID 696653

IUPAC4-(4-oxoquinazolin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C15H10N2O3/c18-14-12-3-1-2-4-13(12)16-9-17(14)11-7-5-10(6-8-11)15(19)20/h1-9H,(H,19,20)
InChIKeyGTGLPZFNBPATOL-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.08
Rot. Bonds2

About 4-(4-oxoquinazolin-3-yl)benzoic acid

4-(4-oxoquinazolin-3-yl)benzoic acid (PubChem CID 696653) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)benzoic acid
PubChem CID696653
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name4-(4-oxoquinazolin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C15H10N2O3/c18-14-12-3-1-2-4-13(12)16-9-17(14)11-7-5-10(6-8-11)15(19)20/h1-9H,(H,19,20)
InChIKeyGTGLPZFNBPATOL-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)benzoic acid?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)benzoic acid (CID 696653) is 4-(4-oxoquinazolin-3-yl)benzoic acid.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)benzoic acid?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)benzoic acid is O=C(O)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)benzoic acid?
The InChIKey is GTGLPZFNBPATOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-14-12-3-1-2-4-13(12)16-9-17(14)11-7-5-10(6-8-11)15(19)20/h1-9H,(H,19,20).
What are the key properties of 4-(4-oxoquinazolin-3-yl)benzoic acid?
4-(4-oxoquinazolin-3-yl)benzoic acid has a molecular weight of 266.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)benzoic acid is sourced from PubChem (CID 696653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).