(2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one

C25H22N2O4S — CID 41119695

About (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one

(2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 41119695) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
• PubChem CID: 41119695
• Molecular Formula: C25H22N2O4S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.13
• IUPAC Name: (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
• SMILES: COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCc1cccs1
• InChI: InChI=1S/C25H22N2O4S/c1-29-23-14-17(10-11-22(23)31-16-19-7-5-13-32-19)24-26-21-9-3-2-8-20(21)25(28)27(24)15-18-6-4-12-30-18/h2-14,24,26H,15-16H2,1H3/t24-/m1/s1
• InChIKey: AMWBRSJJZBDQJT-XMMPIXPASA-N
• XLogP: 5.70
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?

The IUPAC name of (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 41119695) is (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?

The canonical SMILES for (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one is COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCc1cccs1.

What is the InChIKey of (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?

The InChIKey is AMWBRSJJZBDQJT-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-29-23-14-17(10-11-22(23)31-16-19-7-5-13-32-19)24-26-21-9-3-2-8-20(21)25(28)27(24)15-18-6-4-12-30-18/h2-14,24,26H,15-16H2,1H3/t24-/m1/s1.

What are the key properties of (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one?

(2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 446.53 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41119695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).