2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline

C21H15N4+ — CID 10689788

IUPAC2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
SMILESc1ccc(-n2cc3c(n2)c(-[n+]2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C21H15N4/c1-3-9-16(10-4-1)25-15-18-17-11-5-6-12-19(17)22-21(20(18)23-25)24-13-7-2-8-14-24/h1-15H/q+1
InChIKeyNMDUQBNKTBTMNC-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.85
Rot. Bonds2

About 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline

2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline (PubChem CID 10689788) has the molecular formula C21H15N4+ and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
PubChem CID10689788
Molecular FormulaC21H15N4+
Molecular Weight323.38 g/mol
Exact Mass323.13
IUPAC Name2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
SMILESc1ccc(-n2cc3c(n2)c(-[n+]2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C21H15N4/c1-3-9-16(10-4-1)25-15-18-17-11-5-6-12-19(17)22-21(20(18)23-25)24-13-7-2-8-14-24/h1-15H/q+1
InChIKeyNMDUQBNKTBTMNC-UHFFFAOYSA-N
XLogP3.85
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.85
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-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline
CID 11793694
4,7-dimethyl-2-phenylindazole
CID 175730275
N-cyclopentyl-2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine
CID 11791862
4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 671974
2-phenylpyrazolo[4,3-b]pyridine
CID 118393811
4-methyl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 28811486
5-(2-methylpropyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708216
2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
CID 13016006
5,6-dimethyl-2-phenylindazole
CID 135006746
3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one
CID 739394
4-chloro-2-phenyl-9-(2-piperidin-4-ylethyl)pyrazolo[3,4-c]quinoline
CID 87846889
7-iodo-5-methyl-2-phenylindazole
CID 132502003

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline?
The IUPAC name of 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline (CID 10689788) is 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline.
What is the SMILES notation for 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline?
The canonical SMILES for 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline is c1ccc(-n2cc3c(n2)c(-[n+]2ccccc2)nc2ccccc23)cc1.
What is the InChIKey of 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline?
The InChIKey is NMDUQBNKTBTMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N4/c1-3-9-16(10-4-1)25-15-18-17-11-5-6-12-19(17)22-21(20(18)23-25)24-13-7-2-8-14-24/h1-15H/q+1.
What are the key properties of 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline?
2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline has a molecular weight of 323.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-1-ium-1-ylpyrazolo[3,4-c]quinoline is sourced from PubChem (CID 10689788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).