2-methyl-3,4-diphenylcinnolin-2-ium

C21H17N2+ — CID 102493167

IUPAC2-methyl-3,4-diphenylcinnolin-2-ium
SMILESC[n+]1nc2ccccc2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H17N2/c1-23-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)22-23/h2-15H,1H3/q+1
InChIKeyXDGRWIITIYFTDD-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.39
Rot. Bonds2

About 2-methyl-3,4-diphenylcinnolin-2-ium

2-methyl-3,4-diphenylcinnolin-2-ium (PubChem CID 102493167) has the molecular formula C21H17N2+ and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-methyl-3,4-diphenylcinnolin-2-ium.

Molecular Properties

Compound Name2-methyl-3,4-diphenylcinnolin-2-ium
PubChem CID102493167
Molecular FormulaC21H17N2+
Molecular Weight297.38 g/mol
Exact Mass297.14
IUPAC Name2-methyl-3,4-diphenylcinnolin-2-ium
SMILESC[n+]1nc2ccccc2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H17N2/c1-23-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)22-23/h2-15H,1H3/q+1
InChIKeyXDGRWIITIYFTDD-UHFFFAOYSA-N
XLogP4.39
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-methyl-3,4-diphenylcinnolin-2-ium 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

2,3,4-triphenylcinnolin-2-ium tetrafluoroborate
CID 15921486
4-methyl-9-phenyl-3,4-dihydroacridine
CID 156562433
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
CID 158548153
3-chloro-2,4-diphenylquinoline
CID 10781654
bis(3,4-diphenylquinoline);hydrate
CID 139201276
2-(difluoromethyl)-3-methyl-4-phenylquinoline
CID 164676810
(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
CID 7180244
9-phenylacridin-4-ol
CID 59256664
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
2-(3-amino-4-phenylquinolin-2-yl)propan-2-ol
CID 132590331
3-(aminomethyl)-4-phenylquinolin-2-amine
CID 10285988
1,3-dihydroimidazole-2-thione;9-phenylacridine
CID 88528417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-diphenylcinnolin-2-ium?
The IUPAC name of 2-methyl-3,4-diphenylcinnolin-2-ium (CID 102493167) is 2-methyl-3,4-diphenylcinnolin-2-ium.
What is the SMILES notation for 2-methyl-3,4-diphenylcinnolin-2-ium?
The canonical SMILES for 2-methyl-3,4-diphenylcinnolin-2-ium is C[n+]1nc2ccccc2c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-methyl-3,4-diphenylcinnolin-2-ium?
The InChIKey is XDGRWIITIYFTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N2/c1-23-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)22-23/h2-15H,1H3/q+1.
What are the key properties of 2-methyl-3,4-diphenylcinnolin-2-ium?
2-methyl-3,4-diphenylcinnolin-2-ium has a molecular weight of 297.38 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-diphenylcinnolin-2-ium is sourced from PubChem (CID 102493167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).