2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline

C24H16F3N3O — CID 141229201

IUPAC2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline
SMILESFC(F)(F)c1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccccc1
InChIInChI=1S/C24H16F3N3O/c25-24(26,27)20-12-6-4-8-16(20)15-31-23-19-14-28-21-13-7-5-11-18(21)22(19)29-30(23)17-9-2-1-3-10-17/h1-14H,15H2
InChIKeyLPLKTOWCPAASMI-UHFFFAOYSA-N
MW419.41 g/mol
LogP6.17
Rot. Bonds4

About 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline

2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline (PubChem CID 141229201) has the molecular formula C24H16F3N3O and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline
PubChem CID141229201
Molecular FormulaC24H16F3N3O
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC Name2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline
SMILESFC(F)(F)c1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccccc1
InChIInChI=1S/C24H16F3N3O/c25-24(26,27)20-12-6-4-8-16(20)15-31-23-19-14-28-21-13-7-5-11-18(21)22(19)29-30(23)17-9-2-1-3-10-17/h1-14H,15H2
InChIKeyLPLKTOWCPAASMI-UHFFFAOYSA-N
XLogP6.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline?
The IUPAC name of 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline (CID 141229201) is 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline is FC(F)(F)c1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline?
The InChIKey is LPLKTOWCPAASMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O/c25-24(26,27)20-12-6-4-8-16(20)15-31-23-19-14-28-21-13-7-5-11-18(21)22(19)29-30(23)17-9-2-1-3-10-17/h1-14H,15H2.
What are the key properties of 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline?
2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline has a molecular weight of 419.41 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methoxy]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 141229201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).