2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone

C17H18N2O — CID 63776591

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
SMILESCN1CCN(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-18-11-12-19(16-10-6-5-9-15(16)18)13-17(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyYENLPPBPPRYZCW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone (PubChem CID 63776591) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
PubChem CID63776591
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
SMILESCN1CCN(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-18-11-12-19(16-10-6-5-9-15(16)18)13-17(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyYENLPPBPPRYZCW-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63777499
2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
CID 173113975
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
CID 63778575
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 55235951
2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 65247638
N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide
CID 63777833
4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one
CID 63778227
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750805
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
CID 63776813
potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide
CID 106746087
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone (CID 63776591) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone is CN1CCN(CC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone?
The InChIKey is YENLPPBPPRYZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-11-12-19(16-10-6-5-9-15(16)18)13-17(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3.
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone has a molecular weight of 266.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone is sourced from PubChem (CID 63776591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).