N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide

C34H33N3O3 — CID 5225391

About N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide

N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide (PubChem CID 5225391) has the molecular formula C34H33N3O3 and a molecular weight of 531.66 g/mol. Its IUPAC name is N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide
• PubChem CID: 5225391
• Molecular Formula: C34H33N3O3
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.25
• IUPAC Name: N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide
• SMILES: COc1ccc(C)cc1-n1c(C(C)N(CCc2ccccc2)C(=O)c2ccc(C)cc2)nc2ccccc2c1=O
• InChI: InChI=1S/C34H33N3O3/c1-23-14-17-27(18-15-23)33(38)36(21-20-26-10-6-5-7-11-26)25(3)32-35-29-13-9-8-12-28(29)34(39)37(32)30-22-24(2)16-19-31(30)40-4/h5-19,22,25H,20-21H2,1-4H3
• InChIKey: PYEQMDKXRDDDFZ-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 64.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide?

The IUPAC name of N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide (CID 5225391) is N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide.

What is the SMILES notation for N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide?

The canonical SMILES for N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide is COc1ccc(C)cc1-n1c(C(C)N(CCc2ccccc2)C(=O)c2ccc(C)cc2)nc2ccccc2c1=O.

What is the InChIKey of N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide?

The InChIKey is PYEQMDKXRDDDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O3/c1-23-14-17-27(18-15-23)33(38)36(21-20-26-10-6-5-7-11-26)25(3)32-35-29-13-9-8-12-28(29)34(39)37(32)30-22-24(2)16-19-31(30)40-4/h5-19,22,25H,20-21H2,1-4H3.

What are the key properties of N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide?

N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 531.66 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 5225391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).