cinnoline

C8H6N2 — CID 9208

IUPACcinnoline
SMILESc1ccc2nnccc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H
InChIKeyWCZVZNOTHYJIEI-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.63
Rot. Bonds

About cinnoline

cinnoline (PubChem CID 9208) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is cinnoline.

Molecular Properties

Compound Namecinnoline
PubChem CID9208
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Namecinnoline
SMILESc1ccc2nnccc2c1
InChIInChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H
InChIKeyWCZVZNOTHYJIEI-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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Frequently Asked Questions

What is the IUPAC name of cinnoline?
The IUPAC name of cinnoline (CID 9208) is cinnoline.
What is the SMILES notation for cinnoline?
The canonical SMILES for cinnoline is c1ccc2nnccc2c1.
What is the InChIKey of cinnoline?
The InChIKey is WCZVZNOTHYJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H.
What are the key properties of cinnoline?
cinnoline 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 cinnoline is sourced from PubChem (CID 9208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).