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

C22H19N5O3 — CID 1402026

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

(7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 1402026) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is (7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 1402026
• Molecular Formula: C22H19N5O3
• Molecular Weight: 401.43 g/mol
• Exact Mass: 401.15
• IUPAC Name: (7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
• SMILES: COc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1
• InChI: InChI=1S/C22H19N5O3/c1-12-15-10-14(29-2)5-6-17(15)25-22(24-12)27-21-23-11-16-18(26-21)8-13(9-19(16)28)20-4-3-7-30-20/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,24,25,26,27)/t13-/m1/s1
• InChIKey: DUWQJOMYCNAUMN-CYBMUJFWSA-N
• XLogP: 3.99
• TPSA: 103.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.43
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (CID 1402026) is (7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.

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

The canonical SMILES for (7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is COc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1.

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

The InChIKey is DUWQJOMYCNAUMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-12-15-10-14(29-2)5-6-17(15)25-22(24-12)27-21-23-11-16-18(26-21)8-13(9-19(16)28)20-4-3-7-30-20/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,24,25,26,27)/t13-/m1/s1.

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

(7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 401.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 1402026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).