1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline

C22H13ClFN3 — CID 15990580

IUPAC1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
SMILESFc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1Cl
InChIInChI=1S/C22H13ClFN3/c23-18-12-15(10-11-19(18)24)27-22-16-8-4-5-9-20(16)25-13-17(22)21(26-27)14-6-2-1-3-7-14/h1-13H
InChIKeyAXERJZBIRMCZPH-UHFFFAOYSA-N
MW373.82 g/mol
LogP6.03
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline

1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline (PubChem CID 15990580) has the molecular formula C22H13ClFN3 and a molecular weight of 373.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
PubChem CID15990580
Molecular FormulaC22H13ClFN3
Molecular Weight373.82 g/mol
Exact Mass373.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline
SMILESFc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1Cl
InChIInChI=1S/C22H13ClFN3/c23-18-12-15(10-11-19(18)24)27-22-16-8-4-5-9-20(16)25-13-17(22)21(26-27)14-6-2-1-3-7-14/h1-13H
InChIKeyAXERJZBIRMCZPH-UHFFFAOYSA-N
XLogP6.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nerispirdine
CID 3081185
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611
Nerispirdine hydrochloride
CID 9818503
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine
CID 9311270
7-chloro-N-[4-fluoro-3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-4-amine
CID 9841606
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
7-chloro-N-[3-(diethylaminomethyl)-2,5-dimethylpyrrol-1-yl]quinolin-4-amine
CID 16718997
7-chloro-N-[3-(diethylaminomethyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
CID 16718998
7-chloro-N-[2-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
CID 16718999
7-chloro-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992575

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline (CID 15990580) is 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline is Fc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline?
The InChIKey is AXERJZBIRMCZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3/c23-18-12-15(10-11-19(18)24)27-22-16-8-4-5-9-20(16)25-13-17(22)21(26-27)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline?
1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline has a molecular weight of 373.82 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-phenylpyrazolo[4,5-c]quinoline is sourced from PubChem (CID 15990580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).