7-chloro-2-phenylquinoxaline

C14H9ClN2 — CID 12631823

IUPAC7-chloro-2-phenylquinoxaline
SMILESClc1ccc2ncc(-c3ccccc3)nc2c1
InChIInChI=1S/C14H9ClN2/c15-11-6-7-12-13(8-11)17-14(9-16-12)10-4-2-1-3-5-10/h1-9H
InChIKeyIPQKCYUKZDFVEM-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.95
Rot. Bonds1

About 7-chloro-2-phenylquinoxaline

7-chloro-2-phenylquinoxaline (PubChem CID 12631823) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 7-chloro-2-phenylquinoxaline.

Molecular Properties

Compound Name7-chloro-2-phenylquinoxaline
PubChem CID12631823
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name7-chloro-2-phenylquinoxaline
SMILESClc1ccc2ncc(-c3ccccc3)nc2c1
InChIInChI=1S/C14H9ClN2/c15-11-6-7-12-13(8-11)17-14(9-16-12)10-4-2-1-3-5-10/h1-9H
InChIKeyIPQKCYUKZDFVEM-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 7-chloro-2-phenylquinoxaline?
The IUPAC name of 7-chloro-2-phenylquinoxaline (CID 12631823) is 7-chloro-2-phenylquinoxaline.
What is the SMILES notation for 7-chloro-2-phenylquinoxaline?
The canonical SMILES for 7-chloro-2-phenylquinoxaline is Clc1ccc2ncc(-c3ccccc3)nc2c1.
What is the InChIKey of 7-chloro-2-phenylquinoxaline?
The InChIKey is IPQKCYUKZDFVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-11-6-7-12-13(8-11)17-14(9-16-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 7-chloro-2-phenylquinoxaline?
7-chloro-2-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 7-chloro-2-phenylquinoxaline is sourced from PubChem (CID 12631823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).