3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline

C12H18N2O — CID 84620814

IUPAC3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2cccc(OC)c2N1C
InChIInChI=1S/C12H18N2O/c1-4-9-8-13-10-6-5-7-11(15-3)12(10)14(9)2/h5-7,9,13H,4,8H2,1-3H3
InChIKeySKVWIAIXRHUKMP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.34
Rot. Bonds2

About 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline

3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 84620814) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID84620814
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2cccc(OC)c2N1C
InChIInChI=1S/C12H18N2O/c1-4-9-8-13-10-6-5-7-11(15-3)12(10)14(9)2/h5-7,9,13H,4,8H2,1-3H3
InChIKeySKVWIAIXRHUKMP-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623218
5-methoxy-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623748
9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84620310
(7-methoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
CID 83860757
6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 84620698
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097269
N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
CID 105495080
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097947
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
1-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84629194
1-(8-methoxy-3,4-dihydro-2H-quinoxalin-1-yl)-2-methylpropan-2-ol
CID 117236017
8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84627352

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline (CID 84620814) is 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline is CCC1CNc2cccc(OC)c2N1C.
What is the InChIKey of 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is SKVWIAIXRHUKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-9-8-13-10-6-5-7-11(15-3)12(10)14(9)2/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline?
3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 206.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84620814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).