3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one

C19H20N2O2 — CID 162415481

IUPAC3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
SMILESCCC(c1ccc(OC)cc1)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C19H20N2O2/c1-4-15(13-9-11-14(23-3)12-10-13)18-19(22)21(2)17-8-6-5-7-16(17)20-18/h5-12,15H,4H2,1-3H3
InChIKeyYFRPRDJFFWERKG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.48
Rot. Bonds4

About 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one

3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one (PubChem CID 162415481) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
PubChem CID162415481
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
SMILESCCC(c1ccc(OC)cc1)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C19H20N2O2/c1-4-15(13-9-11-14(23-3)12-10-13)18-19(22)21(2)17-8-6-5-7-16(17)20-18/h5-12,15H,4H2,1-3H3
InChIKeyYFRPRDJFFWERKG-UHFFFAOYSA-N
XLogP3.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one
CID 162415487
6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
CID 162415488
1-methyl-3-(4-oxo-1-phenylpentyl)quinoxalin-2-one
CID 162419947
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-1-[4-(trifluoromethyl)phenyl]ethyl]quinoxalin-2-one
CID 164670953
(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 927352
(2R)-2-[[(1R)-1-(4-methyl-3-oxoquinoxalin-2-yl)ethyl]amino]-2-phenylacetamide
CID 68862680
3-[(2R,3S)-3-azidobutan-2-yl]-1-methylquinoxalin-2-one
CID 155933938
2-methoxy-1-methylbenzimidazole;propane
CID 160678842
1-methyl-3-propan-2-yloxyquinoxalin-2-one
CID 162372195
N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364976
3-diethoxyphosphoryl-1-methylquinoxalin-2-one
CID 88586704
(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one?
The IUPAC name of 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one (CID 162415481) is 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one?
The canonical SMILES for 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one is CCC(c1ccc(OC)cc1)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one?
The InChIKey is YFRPRDJFFWERKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-15(13-9-11-14(23-3)12-10-13)18-19(22)21(2)17-8-6-5-7-16(17)20-18/h5-12,15H,4H2,1-3H3.
What are the key properties of 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one?
3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one is sourced from PubChem (CID 162415481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).