7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

C24H20FN5O — CID 17228743

About 7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one

7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 17228743) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: 7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 17228743
• Molecular Formula: C24H20FN5O
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.17
• IUPAC Name: 7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
• SMILES: Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)CC(c1ccc(F)cc1)C2
• InChI: InChI=1S/C24H20FN5O/c1-13-18-5-3-4-6-19(18)28-23(26-13)30-24-27-14(2)22-20(29-24)11-16(12-21(22)31)15-7-9-17(25)10-8-15/h3-10,16H,11-12H2,1-2H3,(H,26,27,28,29,30)
• InChIKey: FTKMUJWVOCTNJX-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 80.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (CID 17228743) is 7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.

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

The canonical SMILES for 7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)CC(c1ccc(F)cc1)C2.

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

The InChIKey is FTKMUJWVOCTNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-13-18-5-3-4-6-19(18)28-23(26-13)30-24-27-14(2)22-20(29-24)11-16(12-21(22)31)15-7-9-17(25)10-8-15/h3-10,16H,11-12H2,1-2H3,(H,26,27,28,29,30).

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

7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 413.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 17228743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).