8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline

C12H17ClN2 — CID 84624825

IUPAC8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2c(Cl)cc(C)cc2N1C
InChIInChI=1S/C12H17ClN2/c1-4-9-7-14-12-10(13)5-8(2)6-11(12)15(9)3/h5-6,9,14H,4,7H2,1-3H3
InChIKeyUXFZULMRRFPYPI-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.29
Rot. Bonds1

About 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline

8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline (PubChem CID 84624825) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline
PubChem CID84624825
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2c(Cl)cc(C)cc2N1C
InChIInChI=1S/C12H17ClN2/c1-4-9-7-14-12-10(13)5-8(2)6-11(12)15(9)3/h5-6,9,14H,4,7H2,1-3H3
InChIKeyUXFZULMRRFPYPI-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84627352
(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine
CID 84629598
1-(2-chloro-4-methylphenyl)-2-ethylpiperazine
CID 64931290
tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84643049
2-(8-chloro-1,4,6-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine
CID 84635088
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64937128
5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
CID 107639962
7-chloro-9-methyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84634517
1-(2-aminoethyl)-6-chloro-8-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84635071
1,3,6,8-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623066
3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623218
2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene
CID 144910794

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline (CID 84624825) is 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline is CCC1CNc2c(Cl)cc(C)cc2N1C.
What is the InChIKey of 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is UXFZULMRRFPYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-4-9-7-14-12-10(13)5-8(2)6-11(12)15(9)3/h5-6,9,14H,4,7H2,1-3H3.
What are the key properties of 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline?
8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 224.73 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84624825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).