1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

C23H14ClF2N3 — CID 20852744

IUPAC1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)cc1Cl
InChIInChI=1S/C23H14ClF2N3/c1-13-5-10-16(11-19(13)24)29-23-17-3-2-4-20(26)22(17)27-12-18(23)21(28-29)14-6-8-15(25)9-7-14/h2-12H,1H3
InChIKeyYGLGMAOEHFCYSZ-UHFFFAOYSA-N
MW405.84 g/mol
LogP6.48
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline

1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852744) has the molecular formula C23H14ClF2N3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852744
Molecular FormulaC23H14ClF2N3
Molecular Weight405.84 g/mol
Exact Mass405.08
IUPAC Name1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)cc1Cl
InChIInChI=1S/C23H14ClF2N3/c1-13-5-10-16(11-19(13)24)29-23-17-3-2-4-20(26)22(17)27-12-18(23)21(28-29)14-6-8-15(25)9-7-14/h2-12H,1H3
InChIKeyYGLGMAOEHFCYSZ-UHFFFAOYSA-N
XLogP6.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline (CID 20852744) is 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is YGLGMAOEHFCYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF2N3/c1-13-5-10-16(11-19(13)24)29-23-17-3-2-4-20(26)22(17)27-12-18(23)21(28-29)14-6-8-15(25)9-7-14/h2-12H,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline?
1-(3-chloro-4-methylphenyl)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 405.84 g/mol, XLogP of 6.48, 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)-6-fluoro-3-(4-fluorophenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).