5-chloro-6-propylquinoxaline

C11H11ClN2 — CID 163809027

IUPAC5-chloro-6-propylquinoxaline
SMILESCCCc1ccc2nccnc2c1Cl
InChIInChI=1S/C11H11ClN2/c1-2-3-8-4-5-9-11(10(8)12)14-7-6-13-9/h4-7H,2-3H2,1H3
InChIKeyNLQGTTGEPWYUHX-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.24
Rot. Bonds2

About 5-chloro-6-propylquinoxaline

5-chloro-6-propylquinoxaline (PubChem CID 163809027) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 5-chloro-6-propylquinoxaline.

Molecular Properties

Compound Name5-chloro-6-propylquinoxaline
PubChem CID163809027
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name5-chloro-6-propylquinoxaline
SMILESCCCc1ccc2nccnc2c1Cl
InChIInChI=1S/C11H11ClN2/c1-2-3-8-4-5-9-11(10(8)12)14-7-6-13-9/h4-7H,2-3H2,1H3
InChIKeyNLQGTTGEPWYUHX-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propylquinoxaline?
The IUPAC name of 5-chloro-6-propylquinoxaline (CID 163809027) is 5-chloro-6-propylquinoxaline.
What is the SMILES notation for 5-chloro-6-propylquinoxaline?
The canonical SMILES for 5-chloro-6-propylquinoxaline is CCCc1ccc2nccnc2c1Cl.
What is the InChIKey of 5-chloro-6-propylquinoxaline?
The InChIKey is NLQGTTGEPWYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-2-3-8-4-5-9-11(10(8)12)14-7-6-13-9/h4-7H,2-3H2,1H3.
What are the key properties of 5-chloro-6-propylquinoxaline?
5-chloro-6-propylquinoxaline has a molecular weight of 206.68 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propylquinoxaline is sourced from PubChem (CID 163809027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).