2-cinnolin-3-yl-1,7-phenanthroline

C20H12N4 — CID 175435696

IUPAC2-cinnolin-3-yl-1,7-phenanthroline
SMILESc1ccc2nnc(-c3ccc4ccc5ncccc5c4n3)cc2c1
InChIInChI=1S/C20H12N4/c1-2-6-16-14(4-1)12-19(24-23-16)18-10-8-13-7-9-17-15(20(13)22-18)5-3-11-21-17/h1-12H
InChIKeyMVQLKFHASHZWBS-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.39
Rot. Bonds1

About 2-cinnolin-3-yl-1,7-phenanthroline

2-cinnolin-3-yl-1,7-phenanthroline (PubChem CID 175435696) has the molecular formula C20H12N4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-cinnolin-3-yl-1,7-phenanthroline.

Molecular Properties

Compound Name2-cinnolin-3-yl-1,7-phenanthroline
PubChem CID175435696
Molecular FormulaC20H12N4
Molecular Weight308.34 g/mol
Exact Mass308.11
IUPAC Name2-cinnolin-3-yl-1,7-phenanthroline
SMILESc1ccc2nnc(-c3ccc4ccc5ncccc5c4n3)cc2c1
InChIInChI=1S/C20H12N4/c1-2-6-16-14(4-1)12-19(24-23-16)18-10-8-13-7-9-17-15(20(13)22-18)5-3-11-21-17/h1-12H
InChIKeyMVQLKFHASHZWBS-UHFFFAOYSA-N
XLogP4.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cinnolin-3-yl-1,7-phenanthroline 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

3-cinnolin-3-ylcinnoline
CID 12908797
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
methanol;1,7-phenanthroline
CID 174496893
2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline
CID 171732364
1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)
CID 175508465
benzo[f]quinoline;iodomethane
CID 21121996
2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165036235
pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117
benzo[b][1,7]phenanthrolin-10-amine
CID 10332108
3-[3-(3-cinnolin-3-yl-5-dibenzofuran-3-ylphenyl)phenyl]-1,10-phenanthroline
CID 171459837
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830

Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-3-yl-1,7-phenanthroline?
The IUPAC name of 2-cinnolin-3-yl-1,7-phenanthroline (CID 175435696) is 2-cinnolin-3-yl-1,7-phenanthroline.
What is the SMILES notation for 2-cinnolin-3-yl-1,7-phenanthroline?
The canonical SMILES for 2-cinnolin-3-yl-1,7-phenanthroline is c1ccc2nnc(-c3ccc4ccc5ncccc5c4n3)cc2c1.
What is the InChIKey of 2-cinnolin-3-yl-1,7-phenanthroline?
The InChIKey is MVQLKFHASHZWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4/c1-2-6-16-14(4-1)12-19(24-23-16)18-10-8-13-7-9-17-15(20(13)22-18)5-3-11-21-17/h1-12H.
What are the key properties of 2-cinnolin-3-yl-1,7-phenanthroline?
2-cinnolin-3-yl-1,7-phenanthroline has a molecular weight of 308.34 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-3-yl-1,7-phenanthroline is sourced from PubChem (CID 175435696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).