3-cinnolin-3-ylcinnoline

C16H10N4 — CID 12908797

IUPAC3-cinnolin-3-ylcinnoline
SMILESc1ccc2nnc(-c3cc4ccccc4nn3)cc2c1
InChIInChI=1S/C16H10N4/c1-3-7-13-11(5-1)9-15(19-17-13)16-10-12-6-2-4-8-14(12)18-20-16/h1-10H
InChIKeyHEHHNNLKAFKFCB-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.24
Rot. Bonds1

About 3-cinnolin-3-ylcinnoline

3-cinnolin-3-ylcinnoline (PubChem CID 12908797) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-cinnolin-3-ylcinnoline.

Molecular Properties

Compound Name3-cinnolin-3-ylcinnoline
PubChem CID12908797
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name3-cinnolin-3-ylcinnoline
SMILESc1ccc2nnc(-c3cc4ccccc4nn3)cc2c1
InChIInChI=1S/C16H10N4/c1-3-7-13-11(5-1)9-15(19-17-13)16-10-12-6-2-4-8-14(12)18-20-16/h1-10H
InChIKeyHEHHNNLKAFKFCB-UHFFFAOYSA-N
XLogP3.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cinnolin-3-ylcinnoline?
The IUPAC name of 3-cinnolin-3-ylcinnoline (CID 12908797) is 3-cinnolin-3-ylcinnoline.
What is the SMILES notation for 3-cinnolin-3-ylcinnoline?
The canonical SMILES for 3-cinnolin-3-ylcinnoline is c1ccc2nnc(-c3cc4ccccc4nn3)cc2c1.
What is the InChIKey of 3-cinnolin-3-ylcinnoline?
The InChIKey is HEHHNNLKAFKFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-3-7-13-11(5-1)9-15(19-17-13)16-10-12-6-2-4-8-14(12)18-20-16/h1-10H.
What are the key properties of 3-cinnolin-3-ylcinnoline?
3-cinnolin-3-ylcinnoline has a molecular weight of 258.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cinnolin-3-ylcinnoline is sourced from PubChem (CID 12908797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).