3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one

C21H16N2O3S — CID 557235

IUPAC3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccccc1
InChIInChI=1S/C21H16N2O3S/c24-19(15-7-2-1-3-8-15)14-27-21-22-18-11-5-4-10-17(18)20(25)23(21)13-16-9-6-12-26-16/h1-12H,13-14H2
InChIKeyAKRNQWJWQFZKEH-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.01
Rot. Bonds6

About 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one

3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one (PubChem CID 557235) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
PubChem CID557235
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccccc1
InChIInChI=1S/C21H16N2O3S/c24-19(15-7-2-1-3-8-15)14-27-21-22-18-11-5-4-10-17(18)20(25)23(21)13-16-9-6-12-26-16/h1-12H,13-14H2
InChIKeyAKRNQWJWQFZKEH-UHFFFAOYSA-N
XLogP4.01
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one (CID 557235) is 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccccc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one?
The InChIKey is AKRNQWJWQFZKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-19(15-7-2-1-3-8-15)14-27-21-22-18-11-5-4-10-17(18)20(25)23(21)13-16-9-6-12-26-16/h1-12H,13-14H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one?
3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one has a molecular weight of 376.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one is sourced from PubChem (CID 557235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).