6-(2-chloroethyl)-2,3-dimethylquinoxaline

C12H13ClN2 — CID 18436913

IUPAC6-(2-chloroethyl)-2,3-dimethylquinoxaline
SMILESCc1nc2ccc(CCCl)cc2nc1C
InChIInChI=1S/C12H13ClN2/c1-8-9(2)15-12-7-10(5-6-13)3-4-11(12)14-8/h3-4,7H,5-6H2,1-2H3
InChIKeyVQHMLWGYXDDTKQ-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.03
Rot. Bonds2

About 6-(2-chloroethyl)-2,3-dimethylquinoxaline

6-(2-chloroethyl)-2,3-dimethylquinoxaline (PubChem CID 18436913) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 6-(2-chloroethyl)-2,3-dimethylquinoxaline.

Molecular Properties

Compound Name6-(2-chloroethyl)-2,3-dimethylquinoxaline
PubChem CID18436913
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name6-(2-chloroethyl)-2,3-dimethylquinoxaline
SMILESCc1nc2ccc(CCCl)cc2nc1C
InChIInChI=1S/C12H13ClN2/c1-8-9(2)15-12-7-10(5-6-13)3-4-11(12)14-8/h3-4,7H,5-6H2,1-2H3
InChIKeyVQHMLWGYXDDTKQ-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,9-Dimethyl-1,10-phenanthroline
CID 65237
2,3-Dimethylquinoxaline
CID 16925
6-Methylquinoxaline
CID 242567
2-Methyl-8-aminoquinoline
CID 140457
1-Methylphenazine
CID 606676
2,3-Diphenylquinoxaline
CID 74311
6,7-Dimethylquinoxaline
CID 247669
2,3,6,7-Tetramethylquinoxaline
CID 248749
2-Chloro-3-phenylquinoxaline
CID 677464
Quinoxaline, 2,3,6-trimethyl-
CID 87204
2-Chloro-3-(chloromethyl)-7-methylquinoline
CID 820250
2,3,6-Trimethylquinoxalin-5-amine
CID 718860

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)-2,3-dimethylquinoxaline?
The IUPAC name of 6-(2-chloroethyl)-2,3-dimethylquinoxaline (CID 18436913) is 6-(2-chloroethyl)-2,3-dimethylquinoxaline.
What is the SMILES notation for 6-(2-chloroethyl)-2,3-dimethylquinoxaline?
The canonical SMILES for 6-(2-chloroethyl)-2,3-dimethylquinoxaline is Cc1nc2ccc(CCCl)cc2nc1C.
What is the InChIKey of 6-(2-chloroethyl)-2,3-dimethylquinoxaline?
The InChIKey is VQHMLWGYXDDTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-8-9(2)15-12-7-10(5-6-13)3-4-11(12)14-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 6-(2-chloroethyl)-2,3-dimethylquinoxaline?
6-(2-chloroethyl)-2,3-dimethylquinoxaline has a molecular weight of 220.70 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-2,3-dimethylquinoxaline is sourced from PubChem (CID 18436913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).