1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one

C22H18N2O2 — CID 10783474

IUPAC1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one
SMILESCn1c(=O)c(COc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C22H18N2O2/c1-24-21-10-6-5-9-19(21)23-20(22(24)25)15-26-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyWGCOVVGKEYQMEK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.18
Rot. Bonds4

About 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one

1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one (PubChem CID 10783474) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one
PubChem CID10783474
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one
SMILESCn1c(=O)c(COc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C22H18N2O2/c1-24-21-10-6-5-9-19(21)23-20(22(24)25)15-26-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyWGCOVVGKEYQMEK-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-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-[(4-phenylphenoxy)methyl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one (CID 10783474) is 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one is Cn1c(=O)c(COc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one?
The InChIKey is WGCOVVGKEYQMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-24-21-10-6-5-9-19(21)23-20(22(24)25)15-26-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one?
1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one has a molecular weight of 342.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-phenylphenoxy)methyl]quinoxalin-2-one is sourced from PubChem (CID 10783474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).