7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline

C12H17ClN2 — CID 84624812

IUPAC7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CN(C)c2c(C)cc(Cl)cc2N1
InChIInChI=1S/C12H17ClN2/c1-4-10-7-15(3)12-8(2)5-9(13)6-11(12)14-10/h5-6,10,14H,4,7H2,1-3H3
InChIKeyVNIYAIFXRFAIDX-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.29
Rot. Bonds1

About 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline

7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline (PubChem CID 84624812) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline
PubChem CID84624812
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CN(C)c2c(C)cc(Cl)cc2N1
InChIInChI=1S/C12H17ClN2/c1-4-10-7-15(3)12-8(2)5-9(13)6-11(12)14-10/h5-6,10,14H,4,7H2,1-3H3
InChIKeyVNIYAIFXRFAIDX-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

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Launch Full Analysis

Related Compounds

6-chloro-2-ethyl-4,8-dimethyl-2,3-dihydro-1H-quinoxaline
CID 84624811
2,5-diethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620474
2-ethyl-6-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84619292
2-ethyl-4-methyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623191
2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620800
2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole
CID 148876234
5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84635598
1-(4-chloro-2-methylphenyl)-3-ethyl-1,4-diazepane
CID 114256615
[1-(2-bromo-4-chloro-6-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676120
9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640120
2-ethyl-6,7-difluoro-1,2,3,4-tetrahydroquinoxaline
CID 82156516
6-chloro-2,2-diethyl-8-methyl-3,4-dihydro-1,4-benzoxazine
CID 114494662

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline (CID 84624812) is 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline is CCC1CN(C)c2c(C)cc(Cl)cc2N1.
What is the InChIKey of 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is VNIYAIFXRFAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-4-10-7-15(3)12-8(2)5-9(13)6-11(12)14-10/h5-6,10,14H,4,7H2,1-3H3.
What are the key properties of 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline?
7-chloro-2-ethyl-4,5-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 7-chloro-2-ethyl-4,5-dimethyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84624812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).