2-(2-Methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid

• Catalog Number: ACMA00001177
• Category: Amines
• Molecular Weight: 280.28
• Molecular Formula: C₁₅H₂₂N₂O
• Hazard Statements: H302-H315-H318-H335
• RIDADR: UN 2735PSN1 8 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C16H12N2O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 280.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(2-methyl-4-oxoquinazolin-3-yl)benzoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H12N2O3/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16(20)21/h2-9H,1H3,(H,20,21).

What is the InChIKey of the compound?

The InChIKey of the compound is NVCRIJIVAAYRER-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 4005-06-5.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 1.7.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.