1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one

C20H20N2O2 — CID 162419947

IUPAC1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one
SMILESCC(=O)CCC(c1ccccc1)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C20H20N2O2/c1-14(23)12-13-16(15-8-4-3-5-9-15)19-20(24)22(2)18-11-7-6-10-17(18)21-19/h3-11,16H,12-13H2,1-2H3
InChIKeyDJZGWBRNUQDAEV-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.43
Rot. Bonds5

About 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one

1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one (PubChem CID 162419947) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one
PubChem CID162419947
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one
SMILESCC(=O)CCC(c1ccccc1)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C20H20N2O2/c1-14(23)12-13-16(15-8-4-3-5-9-15)19-20(24)22(2)18-11-7-6-10-17(18)21-19/h3-11,16H,12-13H2,1-2H3
InChIKeyDJZGWBRNUQDAEV-UHFFFAOYSA-N
XLogP3.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
CID 162415481
(2R)-2-[[(1R)-1-(4-methyl-3-oxoquinoxalin-2-yl)ethyl]amino]-2-phenylacetamide
CID 68862680
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]ethyl]quinoxalin-2-one
CID 164670953
4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606
3-[(2R)-1-azido-4-phenylbutan-2-yl]-1-methylquinoxalin-2-one
CID 155933943
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92869824
3-ethenyl-1-methylquinoxalin-2-one
CID 174761373
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
3-[(2R,3S)-3-azidobutan-2-yl]-1-methylquinoxalin-2-one
CID 155933938
3-[[3-(aminomethyl)phenyl]-indol-1-ylmethyl]-1-methylquinoxalin-2-one
CID 54230560
3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid
CID 65063064
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one?
The IUPAC name of 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one (CID 162419947) is 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one is CC(=O)CCC(c1ccccc1)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one?
The InChIKey is DJZGWBRNUQDAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(23)12-13-16(15-8-4-3-5-9-15)19-20(24)22(2)18-11-7-6-10-17(18)21-19/h3-11,16H,12-13H2,1-2H3.
What are the key properties of 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one?
1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one is sourced from PubChem (CID 162419947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).