4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline

C18H22N2O3S — CID 175211825

IUPAC4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline
SMILESCCS(=O)(=O)N1CCN(Cc2ccccc2)c2cc(OC)ccc21
InChIInChI=1S/C18H22N2O3S/c1-3-24(21,22)20-12-11-19(14-15-7-5-4-6-8-15)18-13-16(23-2)9-10-17(18)20/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyDGCQIGGBFSMJSF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.87
Rot. Bonds5

About 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline

4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline (PubChem CID 175211825) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline
PubChem CID175211825
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline
SMILESCCS(=O)(=O)N1CCN(Cc2ccccc2)c2cc(OC)ccc21
InChIInChI=1S/C18H22N2O3S/c1-3-24(21,22)20-12-11-19(14-15-7-5-4-6-8-15)18-13-16(23-2)9-10-17(18)20/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyDGCQIGGBFSMJSF-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline
CID 175205026
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole
CID 110714138
7-benzylsulfonyl-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 91909942
6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
CID 110636787
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 3808119
(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
CID 86659867
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
CID 23363964
1-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxyindole-2,3-dione
CID 23363894
(5S)-7-ethylsulfonyl-2-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451697

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline?
The IUPAC name of 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline (CID 175211825) is 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline.
What is the SMILES notation for 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline?
The canonical SMILES for 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline is CCS(=O)(=O)N1CCN(Cc2ccccc2)c2cc(OC)ccc21.
What is the InChIKey of 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline?
The InChIKey is DGCQIGGBFSMJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-24(21,22)20-12-11-19(14-15-7-5-4-6-8-15)18-13-16(23-2)9-10-17(18)20/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline?
4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline has a molecular weight of 346.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline is sourced from PubChem (CID 175211825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).