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

C11H15ClN2 — CID 104839702

IUPAC8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline
SMILESCCC1(C)CNc2c(Cl)cccc2N1
InChIInChI=1S/C11H15ClN2/c1-3-11(2)7-13-10-8(12)5-4-6-9(10)14-11/h4-6,13-14H,3,7H2,1-2H3
InChIKeyYQECIDQGUFZQNT-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.35
Rot. Bonds1

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

8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline (PubChem CID 104839702) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline
PubChem CID104839702
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline
SMILESCCC1(C)CNc2c(Cl)cccc2N1
InChIInChI=1S/C11H15ClN2/c1-3-11(2)7-13-10-8(12)5-4-6-9(10)14-11/h4-6,13-14H,3,7H2,1-2H3
InChIKeyYQECIDQGUFZQNT-UHFFFAOYSA-N
XLogP3.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline 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

8-chloro-3-methyl-3-phenyl-2,4-dihydro-1H-quinoxaline
CID 104839707
1-[(2,6-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64850045
3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine
CID 81137779
5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
CID 115095511
6-chloro-2,2,3,3-tetramethyl-1,5-dihydro-1,5-benzodiazepin-4-one
CID 113459411
2-ethyl-4-fluoro-2-methyl-1,3-dihydroindole
CID 84718198
6-chloro-3-propyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 79295304
4-ethyl-4-methylimidazolidine-2-thione
CID 55287241
1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 107310506
6-chloro-3,3,4,4-tetramethyl-1,5-dihydro-1,5-benzodiazepin-2-one
CID 79291566
1-(3-chloro-2-methylphenyl)-3-ethyl-3-methylpiperazine
CID 64925265
6-chloro-3a-methyl-1,2,3,5,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one
CID 104839676

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline?
The IUPAC name of 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline (CID 104839702) is 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline.
What is the SMILES notation for 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline?
The canonical SMILES for 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline is CCC1(C)CNc2c(Cl)cccc2N1.
What is the InChIKey of 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline?
The InChIKey is YQECIDQGUFZQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-3-11(2)7-13-10-8(12)5-4-6-9(10)14-11/h4-6,13-14H,3,7H2,1-2H3.
What are the key properties of 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline?
8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline has a molecular weight of 210.71 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-3-methyl-2,4-dihydro-1H-quinoxaline is sourced from PubChem (CID 104839702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).