(7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C26H28N4O2 — CID 41386820

About (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 41386820) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 41386820
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
• SMILES: COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccccc3C)CC4=O)CC2)cc1
• InChI: InChI=1S/C26H28N4O2/c1-18-5-3-4-6-22(18)19-15-24-23(25(31)16-19)17-27-26(28-24)30-13-11-29(12-14-30)20-7-9-21(32-2)10-8-20/h3-10,17,19H,11-16H2,1-2H3/t19-/m1/s1
• InChIKey: YXQSKOOBAXFXEH-LJQANCHMSA-N
• XLogP: 4.03
• TPSA: 58.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 41386820) is (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(N2CCN(c3ncc4c(n3)C[C@@H](c3ccccc3C)CC4=O)CC2)cc1.

What is the InChIKey of (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is YXQSKOOBAXFXEH-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18-5-3-4-6-22(18)19-15-24-23(25(31)16-19)17-27-26(28-24)30-13-11-29(12-14-30)20-7-9-21(32-2)10-8-20/h3-10,17,19H,11-16H2,1-2H3/t19-/m1/s1.

What are the key properties of (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?

(7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 428.54 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 41386820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).