2-chloro-3-phenylquinoxaline

C14H9ClN2 — CID 677464

IUPAC2-chloro-3-phenylquinoxaline
SMILESClc1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C14H9ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H
InChIKeyKPGPIQKEKAEAHM-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.95
Rot. Bonds1

About 2-chloro-3-phenylquinoxaline

2-chloro-3-phenylquinoxaline (PubChem CID 677464) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-3-phenylquinoxaline.

Molecular Properties

Compound Name2-chloro-3-phenylquinoxaline
PubChem CID677464
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name2-chloro-3-phenylquinoxaline
SMILESClc1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C14H9ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H
InChIKeyKPGPIQKEKAEAHM-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-phenylquinoxaline?
The IUPAC name of 2-chloro-3-phenylquinoxaline (CID 677464) is 2-chloro-3-phenylquinoxaline.
What is the SMILES notation for 2-chloro-3-phenylquinoxaline?
The canonical SMILES for 2-chloro-3-phenylquinoxaline is Clc1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-chloro-3-phenylquinoxaline?
The InChIKey is KPGPIQKEKAEAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H.
What are the key properties of 2-chloro-3-phenylquinoxaline?
2-chloro-3-phenylquinoxaline has a molecular weight of 240.69 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-phenylquinoxaline is sourced from PubChem (CID 677464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).