3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one

C21H24N2O2 — CID 162415487

IUPAC3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one
SMILESCCC(c1ccc(OC)cc1)c1nc2cc(C)c(C)cc2n(C)c1=O
InChIInChI=1S/C21H24N2O2/c1-6-17(15-7-9-16(25-5)10-8-15)20-21(24)23(4)19-12-14(3)13(2)11-18(19)22-20/h7-12,17H,6H2,1-5H3
InChIKeyCCQBAEYPILDFML-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.10
Rot. Bonds4

About 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one

3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one (PubChem CID 162415487) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one
PubChem CID162415487
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one
SMILESCCC(c1ccc(OC)cc1)c1nc2cc(C)c(C)cc2n(C)c1=O
InChIInChI=1S/C21H24N2O2/c1-6-17(15-7-9-16(25-5)10-8-15)20-21(24)23(4)19-12-14(3)13(2)11-18(19)22-20/h7-12,17H,6H2,1-5H3
InChIKeyCCQBAEYPILDFML-UHFFFAOYSA-N
XLogP4.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one with MolForge

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Related Compounds

6,7-dichloro-3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
CID 162415488
3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
CID 162415481
N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305
1-[2-(4-butan-2-ylphenoxy)ethyl]-2,5,6-trimethylbenzimidazole
CID 18885770
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260
(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine
CID 91873506
diethyl 8-methyl-3,13-bis(1-phenylpropyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-dicarboxylate
CID 11801049
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 94755704
N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249264
1-(iodomethoxy)-4-[1-(4-methoxyphenyl)propyl]benzene
CID 89323289

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one?
The IUPAC name of 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one (CID 162415487) is 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one?
The canonical SMILES for 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one is CCC(c1ccc(OC)cc1)c1nc2cc(C)c(C)cc2n(C)c1=O.
What is the InChIKey of 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one?
The InChIKey is CCQBAEYPILDFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-6-17(15-7-9-16(25-5)10-8-15)20-21(24)23(4)19-12-14(3)13(2)11-18(19)22-20/h7-12,17H,6H2,1-5H3.
What are the key properties of 3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one?
3-[1-(4-methoxyphenyl)propyl]-1,6,7-trimethylquinoxalin-2-one has a molecular weight of 336.44 g/mol, XLogP of 4.10, 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]-1,6,7-trimethylquinoxalin-2-one is sourced from PubChem (CID 162415487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).