(7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C23H21N5O2 — CID 1400850

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

(7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 1400850) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is (7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 1400850
• Molecular Formula: C23H21N5O2
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.17
• IUPAC Name: (7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
• SMILES: CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1
• InChI: InChI=1S/C23H21N5O2/c1-3-14-6-7-18-16(9-14)13(2)25-23(26-18)28-22-24-12-17-19(27-22)10-15(11-20(17)29)21-5-4-8-30-21/h4-9,12,15H,3,10-11H2,1-2H3,(H,24,25,26,27,28)/t15-/m1/s1
• InChIKey: XPHPJHWJOCGFDG-OAHLLOKOSA-N
• XLogP: 4.54
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 1400850) is (7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

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

The canonical SMILES for (7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1.

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

The InChIKey is XPHPJHWJOCGFDG-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-3-14-6-7-18-16(9-14)13(2)25-23(26-18)28-22-24-12-17-19(27-22)10-15(11-20(17)29)21-5-4-8-30-21/h4-9,12,15H,3,10-11H2,1-2H3,(H,24,25,26,27,28)/t15-/m1/s1.

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

(7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 399.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 1400850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).