1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one

C16H16N2O2 — CID 4963344

IUPAC1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCOc1ccc(N2C(=O)C(C)Nc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-11-16(19)18(12-7-9-13(20-2)10-8-12)15-6-4-3-5-14(15)17-11/h3-11,17H,1-2H3
InChIKeyJGBQWSGFUJMTKG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one

1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 4963344) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID4963344
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCOc1ccc(N2C(=O)C(C)Nc3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-11-16(19)18(12-7-9-13(20-2)10-8-12)15-6-4-3-5-14(15)17-11/h3-11,17H,1-2H3
InChIKeyJGBQWSGFUJMTKG-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129164
1-(4-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006508
17-(4-methoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3097565
(5S)-5-methyl-3-naphthalen-2-ylimidazolidine-2,4-dione
CID 131863788
3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285697
4-(4-methoxyphenyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 141180829
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124775903
(1S,5S)-3-(4-methoxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 23309112
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
(15S,19R)-17-[4-(4-methoxyphenoxy)phenyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1218205

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one (CID 4963344) is 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one is COc1ccc(N2C(=O)C(C)Nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is JGBQWSGFUJMTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-16(19)18(12-7-9-13(20-2)10-8-12)15-6-4-3-5-14(15)17-11/h3-11,17H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 268.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 4963344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).