benzo[c]cinnoline-3-carbonitrile

C13H7N3 — CID 169092864

IUPACbenzo[c]cinnoline-3-carbonitrile
SMILESN#Cc1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C13H7N3/c14-8-9-5-6-11-10-3-1-2-4-12(10)15-16-13(11)7-9/h1-7H
InChIKeyWVNZHBUXFSTHFJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.65
Rot. Bonds

About benzo[c]cinnoline-3-carbonitrile

benzo[c]cinnoline-3-carbonitrile (PubChem CID 169092864) has the molecular formula C13H7N3 and a molecular weight of 205.22 g/mol. Its IUPAC name is benzo[c]cinnoline-3-carbonitrile.

Molecular Properties

Compound Namebenzo[c]cinnoline-3-carbonitrile
PubChem CID169092864
Molecular FormulaC13H7N3
Molecular Weight205.22 g/mol
Exact Mass205.06
IUPAC Namebenzo[c]cinnoline-3-carbonitrile
SMILESN#Cc1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C13H7N3/c14-8-9-5-6-11-10-3-1-2-4-12(10)15-16-13(11)7-9/h1-7H
InChIKeyWVNZHBUXFSTHFJ-UHFFFAOYSA-N
XLogP2.65
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzo[c]cinnoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;3-methylbenzo[c]cinnoline
CID 157102255
6-cyclohexylphenanthridine-8-carbonitrile
CID 102531920
quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
CID 91283468
3-(dibromomethyl)benzo[c]cinnoline
CID 172651770
5,7-dioxobenzo[d][2]benzoxepine-3-carbonitrile
CID 141358162
3-phenylcinnoline-4-carbonitrile
CID 10868127
indolo[3,2-d][1]benzazepine-9-carbonitrile
CID 139963449
6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
CID 23354049
1,2,3-benzoxadiazole-5-carbonitrile
CID 83815223
9H-carbazole-3-carbonitrile
CID 21107343
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile
CID 134601840

Frequently Asked Questions

What is the IUPAC name of benzo[c]cinnoline-3-carbonitrile?
The IUPAC name of benzo[c]cinnoline-3-carbonitrile (CID 169092864) is benzo[c]cinnoline-3-carbonitrile.
What is the SMILES notation for benzo[c]cinnoline-3-carbonitrile?
The canonical SMILES for benzo[c]cinnoline-3-carbonitrile is N#Cc1ccc2c(c1)nnc1ccccc12.
What is the InChIKey of benzo[c]cinnoline-3-carbonitrile?
The InChIKey is WVNZHBUXFSTHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3/c14-8-9-5-6-11-10-3-1-2-4-12(10)15-16-13(11)7-9/h1-7H.
What are the key properties of benzo[c]cinnoline-3-carbonitrile?
benzo[c]cinnoline-3-carbonitrile has a molecular weight of 205.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]cinnoline-3-carbonitrile is sourced from PubChem (CID 169092864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).