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

C18H20N2O2 — CID 71173465

IUPAC3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
SMILESCCC1C(=O)Nc2ccccc2N1Cc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O2/c1-3-16-18(21)19-15-6-4-5-7-17(15)20(16)12-13-8-10-14(22-2)11-9-13/h4-11,16H,3,12H2,1-2H3,(H,19,21)
InChIKeyUHNVUTJDOVNJMO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.43
Rot. Bonds4

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

3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 71173465) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
PubChem CID71173465
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
SMILESCCC1C(=O)Nc2ccccc2N1Cc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O2/c1-3-16-18(21)19-15-6-4-5-7-17(15)20(16)12-13-8-10-14(22-2)11-9-13/h4-11,16H,3,12H2,1-2H3,(H,19,21)
InChIKeyUHNVUTJDOVNJMO-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
CID 69495401
N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
CID 16661310
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
(6R)-5-[(4-methoxyphenyl)methyl]-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 40990398
3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one
CID 91735401
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(6R,9S)-5-benzyl-6-(4-methoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 40603068
6,9-bis(furan-2-yl)-5-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 16645977
(3R,6S)-3-ethyl-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 15830795
N-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-nitrophenyl]-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
CID 143414725
4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
CID 73300935

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one (CID 71173465) is 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one is CCC1C(=O)Nc2ccccc2N1Cc1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is UHNVUTJDOVNJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-16-18(21)19-15-6-4-5-7-17(15)20(16)12-13-8-10-14(22-2)11-9-13/h4-11,16H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one?
3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 71173465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).