2-chloro-3,6,7-trimethylquinoxaline;ethane

C13H17ClN2 — CID 142003452

IUPAC2-chloro-3,6,7-trimethylquinoxaline;ethane
SMILESCC.Cc1cc2nc(C)c(Cl)nc2cc1C
InChIInChI=1S/C11H11ClN2.C2H6/c1-6-4-9-10(5-7(6)2)14-11(12)8(3)13-9;1-2/h4-5H,1-3H3;1-2H3
InChIKeyVPBTWBGZUFPYLO-UHFFFAOYSA-N
MW236.75 g/mol
LogP4.23
Rot. Bonds

About 2-chloro-3,6,7-trimethylquinoxaline;ethane

2-chloro-3,6,7-trimethylquinoxaline;ethane (PubChem CID 142003452) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-chloro-3,6,7-trimethylquinoxaline;ethane.

Molecular Properties

Compound Name2-chloro-3,6,7-trimethylquinoxaline;ethane
PubChem CID142003452
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-chloro-3,6,7-trimethylquinoxaline;ethane
SMILESCC.Cc1cc2nc(C)c(Cl)nc2cc1C
InChIInChI=1S/C11H11ClN2.C2H6/c1-6-4-9-10(5-7(6)2)14-11(12)8(3)13-9;1-2/h4-5H,1-3H3;1-2H3
InChIKeyVPBTWBGZUFPYLO-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6,7-dimethylquinoxaline-2-carboxylic acid
CID 21491294
2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
2-chloro-6,7-dimethylquinolin-3-amine
CID 114553740
2,3-difluoro-6,7-dimethylquinoxaline
CID 10726458
methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate
CID 59894472
2-chloro-3,5,6,7-tetramethylquinoline
CID 146013311
azanide;6,7-dimethylquinoxaline-2,3-dithiolate;platinum(4+)
CID 143861641
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
4,6,7-trimethylquinazolin-2-amine
CID 919132
2-chloro-5,6-difluoro-3-methylquinoxaline
CID 86712408
3-chloro-5-iodo-2-methylquinoxaline
CID 133059926
7,8-dimethyl-1,2,3,4-tetrahydrophenazine
CID 2813351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6,7-trimethylquinoxaline;ethane?
The IUPAC name of 2-chloro-3,6,7-trimethylquinoxaline;ethane (CID 142003452) is 2-chloro-3,6,7-trimethylquinoxaline;ethane.
What is the SMILES notation for 2-chloro-3,6,7-trimethylquinoxaline;ethane?
The canonical SMILES for 2-chloro-3,6,7-trimethylquinoxaline;ethane is CC.Cc1cc2nc(C)c(Cl)nc2cc1C.
What is the InChIKey of 2-chloro-3,6,7-trimethylquinoxaline;ethane?
The InChIKey is VPBTWBGZUFPYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2.C2H6/c1-6-4-9-10(5-7(6)2)14-11(12)8(3)13-9;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of 2-chloro-3,6,7-trimethylquinoxaline;ethane?
2-chloro-3,6,7-trimethylquinoxaline;ethane has a molecular weight of 236.75 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6,7-trimethylquinoxaline;ethane is sourced from PubChem (CID 142003452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).