quinoxaline

C8H6N2 — CID 7045

IUPACquinoxaline
SMILESc1ccc2nccnc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
InChIKeyXSCHRSMBECNVNS-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.63
Rot. Bonds

About quinoxaline

quinoxaline (PubChem CID 7045) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is quinoxaline.

Molecular Properties

Compound Namequinoxaline
PubChem CID7045
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Namequinoxaline
SMILESc1ccc2nccnc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
InChIKeyXSCHRSMBECNVNS-UHFFFAOYSA-N
XLogP1.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoline
CID 7047
2,2'-Bipyridine
CID 1474
Quinalphos
CID 26124
Diquat
CID 6795
Phenazine
CID 4757
5-Methylquinoxaline
CID 61670
3-Aminoquinoline
CID 11375
2,3-Dimethylquinoxaline
CID 16925
2,3-Dichloroquinoxaline
CID 16659
8-Aminoquinoline
CID 11359
2-Methylquinoxaline
CID 23686
6-Methylquinoxaline
CID 242567

Frequently Asked Questions

What is the IUPAC name of quinoxaline?
The IUPAC name of quinoxaline (CID 7045) is quinoxaline.
What is the SMILES notation for quinoxaline?
The canonical SMILES for quinoxaline is c1ccc2nccnc2c1.
What is the InChIKey of quinoxaline?
The InChIKey is XSCHRSMBECNVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H.
What are the key properties of quinoxaline?
quinoxaline has a molecular weight of 130.15 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline is sourced from PubChem (CID 7045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).