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

C23H15ClFN3 — CID 20852731

IUPAC1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1Cl
InChIInChI=1S/C23H15ClFN3/c1-14-6-11-17(12-20(14)24)28-23-18-4-2-3-5-21(18)26-13-19(23)22(27-28)15-7-9-16(25)10-8-15/h2-13H,1H3
InChIKeyOFLKCGLNYDWAEE-UHFFFAOYSA-N
MW387.85 g/mol
LogP6.34
Rot. Bonds2

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

1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline (PubChem CID 20852731) has the molecular formula C23H15ClFN3 and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline
PubChem CID20852731
Molecular FormulaC23H15ClFN3
Molecular Weight387.85 g/mol
Exact Mass387.09
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1Cl
InChIInChI=1S/C23H15ClFN3/c1-14-6-11-17(12-20(14)24)28-23-18-4-2-3-5-21(18)26-13-19(23)22(27-28)15-7-9-16(25)10-8-15/h2-13H,1H3
InChIKeyOFLKCGLNYDWAEE-UHFFFAOYSA-N
XLogP6.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.85
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
7-chloro-N-[3-(diethylaminomethyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
CID 16718998
1-(3-chloro-4-fluorophenyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351030
7-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)quinoline
CID 365206
7-chloro-N-[(3-fluorophenyl)methylideneamino]quinolin-4-amine
CID 5008472
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
CID 5928348
7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine
CID 24805643
3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]quinoline
CID 44264629
7-chloro-N-[(2-fluorophenyl)methylideneamino]quinolin-4-amine
CID 44521993
N-[(2-chlorophenyl)methylideneamino]-6-fluoroquinolin-4-amine
CID 44537150
N-[(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
CID 44537175

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline (CID 20852731) is 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline is Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline?
The InChIKey is OFLKCGLNYDWAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3/c1-14-6-11-17(12-20(14)24)28-23-18-4-2-3-5-21(18)26-13-19(23)22(27-28)15-7-9-16(25)10-8-15/h2-13H,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline?
1-(3-chloro-4-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline has a molecular weight of 387.85 g/mol, XLogP of 6.34, 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-methylphenyl)-3-(4-fluorophenyl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 20852731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).