(7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C25H23N5O — CID 1398359

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

(7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 1398359) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is (7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 1398359
• Molecular Formula: C25H23N5O
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.19
• IUPAC Name: (7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
• SMILES: Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5cccc(C)c5n4)nc3C2)cc1
• InChI: InChI=1S/C25H23N5O/c1-14-7-9-17(10-8-14)18-11-21-20(22(31)12-18)13-26-24(28-21)30-25-27-16(3)19-6-4-5-15(2)23(19)29-25/h4-10,13,18H,11-12H2,1-3H3,(H,26,27,28,29,30)/t18-/m1/s1
• InChIKey: DNCPRBICKOZQSI-GOSISDBHSA-N
• XLogP: 5.00
• TPSA: 80.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 1398359) is (7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

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

The canonical SMILES for (7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5cccc(C)c5n4)nc3C2)cc1.

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

The InChIKey is DNCPRBICKOZQSI-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23N5O/c1-14-7-9-17(10-8-14)18-11-21-20(22(31)12-18)13-26-24(28-21)30-25-27-16(3)19-6-4-5-15(2)23(19)29-25/h4-10,13,18H,11-12H2,1-3H3,(H,26,27,28,29,30)/t18-/m1/s1.

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

(7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 409.49 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 1398359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).