1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone

C19H22N2O — CID 123814574

IUPAC1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(Cc2cccc(C)c2)CC1C
InChIInChI=1S/C19H22N2O/c1-14-7-6-8-17(11-14)13-20-12-15(2)21(16(3)22)19-10-5-4-9-18(19)20/h4-11,15H,12-13H2,1-3H3
InChIKeyUWLWILQQYQIPPS-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.76
Rot. Bonds2

About 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone

1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 123814574) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID123814574
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(Cc2cccc(C)c2)CC1C
InChIInChI=1S/C19H22N2O/c1-14-7-6-8-17(11-14)13-20-12-15(2)21(16(3)22)19-10-5-4-9-18(19)20/h4-11,15H,12-13H2,1-3H3
InChIKeyUWLWILQQYQIPPS-UHFFFAOYSA-N
XLogP3.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone (CID 123814574) is 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccccc2N(Cc2cccc(C)c2)CC1C.
What is the InChIKey of 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is UWLWILQQYQIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-7-6-8-17(11-14)13-20-12-15(2)21(16(3)22)19-10-5-4-9-18(19)20/h4-11,15H,12-13H2,1-3H3.
What are the key properties of 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 123814574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).