7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline

C12H17ClN2 — CID 115472197

IUPAC7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)CC1CNc2ccc(Cl)cc2N1
InChIInChI=1S/C12H17ClN2/c1-8(2)5-10-7-14-11-4-3-9(13)6-12(11)15-10/h3-4,6,8,10,14-15H,5,7H2,1-2H3
InChIKeyJMCQDFFGWDGLJI-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.59
Rot. Bonds2

About 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline

7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 115472197) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID115472197
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)CC1CNc2ccc(Cl)cc2N1
InChIInChI=1S/C12H17ClN2/c1-8(2)5-10-7-14-11-4-3-9(13)6-12(11)15-10/h3-4,6,8,10,14-15H,5,7H2,1-2H3
InChIKeyJMCQDFFGWDGLJI-UHFFFAOYSA-N
XLogP3.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline (CID 115472197) is 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline is CC(C)CC1CNc2ccc(Cl)cc2N1.
What is the InChIKey of 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is JMCQDFFGWDGLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(2)5-10-7-14-11-4-3-9(13)6-12(11)15-10/h3-4,6,8,10,14-15H,5,7H2,1-2H3.
What are the key properties of 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline?
7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 224.73 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 115472197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).