2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline

C9H11ClN2 — CID 21036673

IUPAC2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline
SMILESCC1CCCc2nc(Cl)cnc21
InChIInChI=1S/C9H11ClN2/c1-6-3-2-4-7-9(6)11-5-8(10)12-7/h5-6H,2-4H2,1H3
InChIKeyJQWFMVPENLRTSW-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.57
Rot. Bonds

About 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline

2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline (PubChem CID 21036673) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline
PubChem CID21036673
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline
SMILESCC1CCCc2nc(Cl)cnc21
InChIInChI=1S/C9H11ClN2/c1-6-3-2-4-7-9(6)11-5-8(10)12-7/h5-6H,2-4H2,1H3
InChIKeyJQWFMVPENLRTSW-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline (CID 21036673) is 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline is CC1CCCc2nc(Cl)cnc21.
What is the InChIKey of 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is JQWFMVPENLRTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-6-3-2-4-7-9(6)11-5-8(10)12-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline?
2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 182.65 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 21036673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).