8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline

C25H20FN3 — CID 20852553

IUPAC8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C25H20FN3/c1-3-17-6-13-23-21(14-17)25-22(15-27-23)24(18-7-4-16(2)5-8-18)28-29(25)20-11-9-19(26)10-12-20/h4-15H,3H2,1-2H3
InChIKeyDSDBLZPIEOKWQZ-UHFFFAOYSA-N
MW381.45 g/mol
LogP6.25
Rot. Bonds3

About 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline

8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852553) has the molecular formula C25H20FN3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852553
Molecular FormulaC25H20FN3
Molecular Weight381.45 g/mol
Exact Mass381.16
IUPAC Name8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
SMILESCCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1
InChIInChI=1S/C25H20FN3/c1-3-17-6-13-23-21(14-17)25-22(15-27-23)24(18-7-4-16(2)5-8-18)28-29(25)20-11-9-19(26)10-12-20/h4-15H,3H2,1-2H3
InChIKeyDSDBLZPIEOKWQZ-UHFFFAOYSA-N
XLogP6.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline (CID 20852553) is 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline is CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1.
What is the InChIKey of 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is DSDBLZPIEOKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3/c1-3-17-6-13-23-21(14-17)25-22(15-27-23)24(18-7-4-16(2)5-8-18)28-29(25)20-11-9-19(26)10-12-20/h4-15H,3H2,1-2H3.
What are the key properties of 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline?
8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 381.45 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).