1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one

C25H20N2OS — CID 71624922

IUPAC1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one
SMILESCN1c2ccccc2C(=O)N(c2ccccc2)C1c1ccc(-c2ccccc2)s1
InChIInChI=1S/C25H20N2OS/c1-26-21-15-9-8-14-20(21)25(28)27(19-12-6-3-7-13-19)24(26)23-17-16-22(29-23)18-10-4-2-5-11-18/h2-17,24H,1H3
InChIKeyTZCWHXUUJOGUMU-UHFFFAOYSA-N
MW396.52 g/mol
LogP6.21
Rot. Bonds3

About 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one

1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one (PubChem CID 71624922) has the molecular formula C25H20N2OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one
PubChem CID71624922
Molecular FormulaC25H20N2OS
Molecular Weight396.52 g/mol
Exact Mass396.13
IUPAC Name1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one
SMILESCN1c2ccccc2C(=O)N(c2ccccc2)C1c1ccc(-c2ccccc2)s1
InChIInChI=1S/C25H20N2OS/c1-26-21-15-9-8-14-20(21)25(28)27(19-12-6-3-7-13-19)24(26)23-17-16-22(29-23)18-10-4-2-5-11-18/h2-17,24H,1H3
InChIKeyTZCWHXUUJOGUMU-UHFFFAOYSA-N
XLogP6.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-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 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one?
The IUPAC name of 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one (CID 71624922) is 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one.
What is the SMILES notation for 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one?
The canonical SMILES for 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one is CN1c2ccccc2C(=O)N(c2ccccc2)C1c1ccc(-c2ccccc2)s1.
What is the InChIKey of 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one?
The InChIKey is TZCWHXUUJOGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2OS/c1-26-21-15-9-8-14-20(21)25(28)27(19-12-6-3-7-13-19)24(26)23-17-16-22(29-23)18-10-4-2-5-11-18/h2-17,24H,1H3.
What are the key properties of 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one?
1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one has a molecular weight of 396.52 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-2-(5-phenylthiophen-2-yl)-2H-quinazolin-4-one is sourced from PubChem (CID 71624922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).