1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline

C23H15ClFN3 — CID 20953395

IUPAC1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc(Cl)c4)c3c2c1
InChIInChI=1S/C23H15ClFN3/c1-14-5-10-21-19(11-14)23-20(13-26-21)22(15-6-8-17(25)9-7-15)27-28(23)18-4-2-3-16(24)12-18/h2-13H,1H3
InChIKeyIBHFYSQBESGHIX-UHFFFAOYSA-N
MW387.85 g/mol
LogP6.34
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline

1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline (PubChem CID 20953395) has the molecular formula C23H15ClFN3 and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
PubChem CID20953395
Molecular FormulaC23H15ClFN3
Molecular Weight387.85 g/mol
Exact Mass387.09
IUPAC Name1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc(Cl)c4)c3c2c1
InChIInChI=1S/C23H15ClFN3/c1-14-5-10-21-19(11-14)23-20(13-26-21)22(15-6-8-17(25)9-7-15)27-28(23)18-4-2-3-16(24)12-18/h2-13H,1H3
InChIKeyIBHFYSQBESGHIX-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

1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396
3-(4-chlorophenyl)-8-fluoro-1-phenylpyrazolo[4,3-c]quinoline
CID 20852861
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
1-(3-chloro-4-methylphenyl)-8-methyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852726
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852730
3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852644
8-fluoro-1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20953354
7,8-difluoro-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,5-c]quinoline
CID 46251426
8-chloro-3-(4-ethylphenyl)-1-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852797
6-chloro-1-(3-fluorophenyl)-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
CID 20852640
8-methoxy-3-(4-methylphenyl)-1-phenylpyrazolo[4,3-c]quinoline
CID 20852567
1-(3,4-dimethylphenyl)-3-(4-ethylphenyl)-8-fluoropyrazolo[4,3-c]quinoline
CID 20852806

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline (CID 20953395) is 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline is Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc(Cl)c4)c3c2c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
The InChIKey is IBHFYSQBESGHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3/c1-14-5-10-21-19(11-14)23-20(13-26-21)22(15-6-8-17(25)9-7-15)27-28(23)18-4-2-3-16(24)12-18/h2-13H,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline?
1-(3-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-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-chlorophenyl)-3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20953395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).