1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one

C17H18N2O — CID 117006646

IUPAC1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one
SMILESCc1ccc(N2C(=O)CN(C)c3ccccc32)cc1C
InChIInChI=1S/C17H18N2O/c1-12-8-9-14(10-13(12)2)19-16-7-5-4-6-15(16)18(3)11-17(19)20/h4-10H,11H2,1-3H3
InChIKeyRIVVYAYEQIOMLD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds1

About 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one

1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one (PubChem CID 117006646) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one
PubChem CID117006646
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one
SMILESCc1ccc(N2C(=O)CN(C)c3ccccc32)cc1C
InChIInChI=1S/C17H18N2O/c1-12-8-9-14(10-13(12)2)19-16-7-5-4-6-15(16)18(3)11-17(19)20/h4-10H,11H2,1-3H3
InChIKeyRIVVYAYEQIOMLD-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-4-methyl-3H-quinoxalin-2-one
CID 117030723
1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one
CID 117006650
7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one
CID 117006395
1,3-bis(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2798623
2-(3,4-dimethylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2732797
(1S,2S)-4-(3,4-dimethylphenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione
CID 40513065
(2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 7245471
1-methyl-3-[2-methyl-5-(methylamino)phenyl]imidazolidine-2,4-dione
CID 143942991
(15R,19R)-17-(3,4-dimethylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1336838
1-(methoxymethyl)-4-methyl-3H-quinoxalin-2-one
CID 121219968
1-butyl-4-methyl-3H-quinoxalin-2-one
CID 117006618
4-(3,4-dimethylphenyl)morpholine-2,6-dione
CID 63777937

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one (CID 117006646) is 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one is Cc1ccc(N2C(=O)CN(C)c3ccccc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one?
The InChIKey is RIVVYAYEQIOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-8-9-14(10-13(12)2)19-16-7-5-4-6-15(16)18(3)11-17(19)20/h4-10H,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one?
1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117006646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).