2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline

C22H17N4+ — CID 11793694

IUPAC2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
SMILESCc1ccc(-n2cc3c(n2)c(-[n+]2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C22H17N4/c1-16-9-11-17(12-10-16)26-15-19-18-7-3-4-8-20(18)23-22(21(19)24-26)25-13-5-2-6-14-25/h2-15H,1H3/q+1
InChIKeyOVKDWWTVQFCNSH-UHFFFAOYSA-N
MW337.41 g/mol
LogP4.16
Rot. Bonds2

About 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline

2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline (PubChem CID 11793694) has the molecular formula C22H17N4+ and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
PubChem CID11793694
Molecular FormulaC22H17N4+
Molecular Weight337.41 g/mol
Exact Mass337.14
IUPAC Name2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
SMILESCc1ccc(-n2cc3c(n2)c(-[n+]2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C22H17N4/c1-16-9-11-17(12-10-16)26-15-19-18-7-3-4-8-20(18)23-22(21(19)24-26)25-13-5-2-6-14-25/h2-15H,1H3/q+1
InChIKeyOVKDWWTVQFCNSH-UHFFFAOYSA-N
XLogP4.16
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
CID 10689788
ethane;4-ethyl-2-(4-methylphenyl)indazole
CID 123901665
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
4,7-dimethyl-2-phenylindazole
CID 175730275
5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708223
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910884
[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 165072337
3-[7-(4-cyano-1,5-diphenylpyrazol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50905811
6-(4-methylphenyl)phenanthridine
CID 10707098
ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate
CID 1214564
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline?
The IUPAC name of 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline (CID 11793694) is 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline.
What is the SMILES notation for 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline?
The canonical SMILES for 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline is Cc1ccc(-n2cc3c(n2)c(-[n+]2ccccc2)nc2ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline?
The InChIKey is OVKDWWTVQFCNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N4/c1-16-9-11-17(12-10-16)26-15-19-18-7-3-4-8-20(18)23-22(21(19)24-26)25-13-5-2-6-14-25/h2-15H,1H3/q+1.
What are the key properties of 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline?
2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline has a molecular weight of 337.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline is sourced from PubChem (CID 11793694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).