(2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one

C24H22N4O4 — CID 41064449

About (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one

(2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 41064449) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
• PubChem CID: 41064449
• Molecular Formula: C24H22N4O4
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.16
• IUPAC Name: (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
• SMILES: O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C24H22N4O4/c29-24-21-6-1-2-7-22(21)25-23(17-4-3-5-20(16-17)28(30)31)27(24)19-10-8-18(9-11-19)26-12-14-32-15-13-26/h1-11,16,23,25H,12-15H2/t23-/m1/s1
• InChIKey: AQZMEBJYFQLFRF-HSZRJFAPSA-N
• XLogP: 4.20
• TPSA: 87.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?

The IUPAC name of (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one (CID 41064449) is (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?

The canonical SMILES for (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(N2CCOCC2)cc1.

What is the InChIKey of (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?

The InChIKey is AQZMEBJYFQLFRF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-24-21-6-1-2-7-22(21)25-23(17-4-3-5-20(16-17)28(30)31)27(24)19-10-8-18(9-11-19)26-12-14-32-15-13-26/h1-11,16,23,25H,12-15H2/t23-/m1/s1.

What are the key properties of (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?

(2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 430.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41064449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).