3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide

C23H21N3O3 — CID 5174165

About 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide

3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (PubChem CID 5174165) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
• PubChem CID: 5174165
• Molecular Formula: C23H21N3O3
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.16
• IUPAC Name: 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
• SMILES: COc1cccc(C(=O)Nc2ncc3c(n2)CC(c2ccc(C)cc2)CC3=O)c1
• InChI: InChI=1S/C23H21N3O3/c1-14-6-8-15(9-7-14)17-11-20-19(21(27)12-17)13-24-23(25-20)26-22(28)16-4-3-5-18(10-16)29-2/h3-10,13,17H,11-12H2,1-2H3,(H,24,25,26,28)
• InChIKey: NQKYTXIYDKHUQR-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The IUPAC name of 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (CID 5174165) is 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

What is the SMILES notation for 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The canonical SMILES for 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is COc1cccc(C(=O)Nc2ncc3c(n2)CC(c2ccc(C)cc2)CC3=O)c1.

What is the InChIKey of 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The InChIKey is NQKYTXIYDKHUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-6-8-15(9-7-14)17-11-20-19(21(27)12-17)13-24-23(25-20)26-22(28)16-4-3-5-18(10-16)29-2/h3-10,13,17H,11-12H2,1-2H3,(H,24,25,26,28).

What are the key properties of 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is sourced from PubChem (CID 5174165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).