(2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one

C23H19N3O3S — CID 40954308

About (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one

(2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 40954308) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one
• PubChem CID: 40954308
• Molecular Formula: C23H19N3O3S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.11
• IUPAC Name: (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one
• SMILES: COc1cccc(-c2nc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cs2)c1
• InChI: InChI=1S/C23H19N3O3S/c1-28-16-7-4-6-15(12-16)22-25-20(14-30-22)21-24-19-10-3-2-9-18(19)23(27)26(21)13-17-8-5-11-29-17/h2-12,14,21,24H,13H2,1H3/t21-/m1/s1
• InChIKey: KUUPNVVLMGTEBY-OAQYLSRUSA-N
• XLogP: 5.18
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	5.18
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-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one?

The IUPAC name of (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one (CID 40954308) is (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one?

The canonical SMILES for (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one is COc1cccc(-c2nc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cs2)c1.

What is the InChIKey of (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one?

The InChIKey is KUUPNVVLMGTEBY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-28-16-7-4-6-15(12-16)22-25-20(14-30-22)21-24-19-10-3-2-9-18(19)23(27)26(21)13-17-8-5-11-29-17/h2-12,14,21,24H,13H2,1H3/t21-/m1/s1.

What are the key properties of (2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one?

(2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 417.49 g/mol, XLogP of 5.18, 5 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-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 40954308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).