1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one

C19H18N2O — CID 158965713

IUPAC1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one
SMILESCc1nc2ccc(CC(=O)Cc3ccccc3)cc2nc1C
InChIInChI=1S/C19H18N2O/c1-13-14(2)21-19-12-16(8-9-18(19)20-13)11-17(22)10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKeyGPXMCZYACFSTAQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one

1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one (PubChem CID 158965713) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one
PubChem CID158965713
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one
SMILESCc1nc2ccc(CC(=O)Cc3ccccc3)cc2nc1C
InChIInChI=1S/C19H18N2O/c1-13-14(2)21-19-12-16(8-9-18(19)20-13)11-17(22)10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKeyGPXMCZYACFSTAQ-UHFFFAOYSA-N
XLogP3.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-[3-(furan-2-yl)-2-methylquinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 157120485
1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one
CID 141325078
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(2,3-dimethylquinoxalin-6-yl)-6-piperidin-1-ylhexan-2-one
CID 162108292
1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropan-2-one
CID 159883027
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
CID 110723812
6-(2-chloroethyl)-2,3-dimethylquinoxaline
CID 18436913
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one
CID 158867521
2,3-dimethylpyrazino[2,3-b]phenazine
CID 101041837

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one (CID 158965713) is 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one is Cc1nc2ccc(CC(=O)Cc3ccccc3)cc2nc1C.
What is the InChIKey of 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one?
The InChIKey is GPXMCZYACFSTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-14(2)21-19-12-16(8-9-18(19)20-13)11-17(22)10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one?
1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 158965713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).