(2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone

C21H26N2O3 — CID 141102092

IUPAC(2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cccc(OC)c2OC)c2cc(C)c(C)cc2N1
InChIInChI=1S/C21H26N2O3/c1-6-15-12-23(18-11-14(3)13(2)10-17(18)22-15)21(24)16-8-7-9-19(25-4)20(16)26-5/h7-11,15,22H,6,12H2,1-5H3
InChIKeyNVHJCWOXDDEGOJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.17
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone

(2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone (PubChem CID 141102092) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
PubChem CID141102092
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cccc(OC)c2OC)c2cc(C)c(C)cc2N1
InChIInChI=1S/C21H26N2O3/c1-6-15-12-23(18-11-14(3)13(2)10-17(18)22-15)21(24)16-8-7-9-19(25-4)20(16)26-5/h7-11,15,22H,6,12H2,1-5H3
InChIKeyNVHJCWOXDDEGOJ-UHFFFAOYSA-N
XLogP4.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone 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

[3-(bromomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 80661384
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
[(3aR,8aR)-1-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 110136269
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 42401886
(2,3-dimethoxyphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95316336
ethyl 4-(2-bromo-3-methylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656546
(2,3-dimethoxyphenyl)-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 67116213
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 115491792
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone (CID 141102092) is (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone is CCC1CN(C(=O)c2cccc(OC)c2OC)c2cc(C)c(C)cc2N1.
What is the InChIKey of (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The InChIKey is NVHJCWOXDDEGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-6-15-12-23(18-11-14(3)13(2)10-17(18)22-15)21(24)16-8-7-9-19(25-4)20(16)26-5/h7-11,15,22H,6,12H2,1-5H3.
What are the key properties of (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone?
(2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone is sourced from PubChem (CID 141102092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).