3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione

C17H14N2O2 — CID 68619236

IUPAC3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2cc(C=Cc3ccccc3)ccc2c1=O
InChIInChI=1S/C17H14N2O2/c1-19-16(20)14-10-9-13(11-15(14)18-17(19)21)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,21)
InChIKeyVUTMSAOXTNUXQL-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.40
Rot. Bonds2

About 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione

3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione (PubChem CID 68619236) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione
PubChem CID68619236
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2cc(C=Cc3ccccc3)ccc2c1=O
InChIInChI=1S/C17H14N2O2/c1-19-16(20)14-10-9-13(11-15(14)18-17(19)21)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,21)
InChIKeyVUTMSAOXTNUXQL-UHFFFAOYSA-N
XLogP2.40
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione 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-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione (CID 68619236) is 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione is Cn1c(=O)[nH]c2cc(C=Cc3ccccc3)ccc2c1=O.
What is the InChIKey of 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione?
The InChIKey is VUTMSAOXTNUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19-16(20)14-10-9-13(11-15(14)18-17(19)21)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,21).
What are the key properties of 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione?
3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 68619236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).