7-methylbenzo[c]cinnoline-2,3-dicarbonitrile

C15H8N4 — CID 58664743

IUPAC7-methylbenzo[c]cinnoline-2,3-dicarbonitrile
SMILESCc1cccc2c1nnc1cc(C#N)c(C#N)cc12
InChIInChI=1S/C15H8N4/c1-9-3-2-4-12-13-5-10(7-16)11(8-17)6-14(13)18-19-15(9)12/h2-6H,1H3
InChIKeyANLVFOFKQAOZRJ-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.83
Rot. Bonds

About 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile

7-methylbenzo[c]cinnoline-2,3-dicarbonitrile (PubChem CID 58664743) has the molecular formula C15H8N4 and a molecular weight of 244.26 g/mol. Its IUPAC name is 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile.

Molecular Properties

Compound Name7-methylbenzo[c]cinnoline-2,3-dicarbonitrile
PubChem CID58664743
Molecular FormulaC15H8N4
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name7-methylbenzo[c]cinnoline-2,3-dicarbonitrile
SMILESCc1cccc2c1nnc1cc(C#N)c(C#N)cc12
InChIInChI=1S/C15H8N4/c1-9-3-2-4-12-13-5-10(7-16)11(8-17)6-14(13)18-19-15(9)12/h2-6H,1H3
InChIKeyANLVFOFKQAOZRJ-UHFFFAOYSA-N
XLogP2.83
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile?
The IUPAC name of 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile (CID 58664743) is 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile.
What is the SMILES notation for 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile?
The canonical SMILES for 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile is Cc1cccc2c1nnc1cc(C#N)c(C#N)cc12.
What is the InChIKey of 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile?
The InChIKey is ANLVFOFKQAOZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4/c1-9-3-2-4-12-13-5-10(7-16)11(8-17)6-14(13)18-19-15(9)12/h2-6H,1H3.
What are the key properties of 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile?
7-methylbenzo[c]cinnoline-2,3-dicarbonitrile has a molecular weight of 244.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbenzo[c]cinnoline-2,3-dicarbonitrile is sourced from PubChem (CID 58664743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).