3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one

C19H16N2O — CID 141325889

IUPAC3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
SMILESCc1cccc(C=CC(=O)c2nc3ccccc3nc2C)c1
InChIInChI=1S/C19H16N2O/c1-13-6-5-7-15(12-13)10-11-18(22)19-14(2)20-16-8-3-4-9-17(16)21-19/h3-12H,1-2H3
InChIKeyBXDAFRJUVSUMKB-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.14
Rot. Bonds3

About 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one

3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one (PubChem CID 141325889) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
PubChem CID141325889
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
SMILESCc1cccc(C=CC(=O)c2nc3ccccc3nc2C)c1
InChIInChI=1S/C19H16N2O/c1-13-6-5-7-15(12-13)10-11-18(22)19-14(2)20-16-8-3-4-9-17(16)21-19/h3-12H,1-2H3
InChIKeyBXDAFRJUVSUMKB-UHFFFAOYSA-N
XLogP4.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-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-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one?
The IUPAC name of 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one (CID 141325889) is 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one?
The canonical SMILES for 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one is Cc1cccc(C=CC(=O)c2nc3ccccc3nc2C)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one?
The InChIKey is BXDAFRJUVSUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13-6-5-7-15(12-13)10-11-18(22)19-14(2)20-16-8-3-4-9-17(16)21-19/h3-12H,1-2H3.
What are the key properties of 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one?
3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one has a molecular weight of 288.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 141325889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).