4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide

C25H25N3O2 — CID 2005385

About 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide

4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide (PubChem CID 2005385) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
• PubChem CID: 2005385
• Molecular Formula: C25H25N3O2
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.19
• IUPAC Name: 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C(C)C)cc2)CC3=O)cc1
• InChI: InChI=1S/C25H25N3O2/c1-15(2)17-8-10-18(11-9-17)20-12-22-21(23(29)13-20)14-26-25(27-22)28-24(30)19-6-4-16(3)5-7-19/h4-11,14-15,20H,12-13H2,1-3H3,(H,26,27,28,30)/t20-/m1/s1
• InChIKey: XJOJINQRNMZPLL-HXUWFJFHSA-N
• XLogP: 5.07
• TPSA: 71.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The IUPAC name of 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide (CID 2005385) is 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

What is the SMILES notation for 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The canonical SMILES for 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide is Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C(C)C)cc2)CC3=O)cc1.

What is the InChIKey of 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The InChIKey is XJOJINQRNMZPLL-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-15(2)17-8-10-18(11-9-17)20-12-22-21(23(29)13-20)14-26-25(27-22)28-24(30)19-6-4-16(3)5-7-19/h4-11,14-15,20H,12-13H2,1-3H3,(H,26,27,28,30)/t20-/m1/s1.

What are the key properties of 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(7R)-5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide is sourced from PubChem (CID 2005385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).