cinnoline;hydrochloride

C16H13ClN4 — CID 175461371

IUPACcinnoline;hydrochloride
SMILESCl.c1ccc2nnccc2c1.c1ccc2nnccc2c1
InChIInChI=1S/2C8H6N2.ClH/c2*1-2-4-8-7(3-1)5-6-9-10-8;/h2*1-6H;1H
InChIKeyKPCPZNGJIPIZGR-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.68
Rot. Bonds

About cinnoline;hydrochloride

cinnoline;hydrochloride (PubChem CID 175461371) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is cinnoline;hydrochloride.

Molecular Properties

Compound Namecinnoline;hydrochloride
PubChem CID175461371
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Namecinnoline;hydrochloride
SMILESCl.c1ccc2nnccc2c1.c1ccc2nnccc2c1
InChIInChI=1S/2C8H6N2.ClH/c2*1-2-4-8-7(3-1)5-6-9-10-8;/h2*1-6H;1H
InChIKeyKPCPZNGJIPIZGR-UHFFFAOYSA-N
XLogP3.68
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cinnoline;hydrochloride?
The IUPAC name of cinnoline;hydrochloride (CID 175461371) is cinnoline;hydrochloride.
What is the SMILES notation for cinnoline;hydrochloride?
The canonical SMILES for cinnoline;hydrochloride is Cl.c1ccc2nnccc2c1.c1ccc2nnccc2c1.
What is the InChIKey of cinnoline;hydrochloride?
The InChIKey is KPCPZNGJIPIZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6N2.ClH/c2*1-2-4-8-7(3-1)5-6-9-10-8;/h2*1-6H;1H.
What are the key properties of cinnoline;hydrochloride?
cinnoline;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;hydrochloride is sourced from PubChem (CID 175461371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).