2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol

C24H16F3N3O — CID 15980813

IUPAC2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol
SMILESOC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccnc2ccccc12)C(F)(F)F
InChIInChI=1S/C24H16F3N3O/c25-24(26,27)23(31,20-12-13-28-21-9-5-4-8-19(20)21)17-10-11-22-16(14-17)15-29-30(22)18-6-2-1-3-7-18/h1-15,31H
InChIKeyIEDVNTJOLFOWGR-UHFFFAOYSA-N
MW419.41 g/mol
LogP5.37
Rot. Bonds3

About 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol

2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol (PubChem CID 15980813) has the molecular formula C24H16F3N3O and a molecular weight of 419.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol
PubChem CID15980813
Molecular FormulaC24H16F3N3O
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC Name2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol
SMILESOC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccnc2ccccc12)C(F)(F)F
InChIInChI=1S/C24H16F3N3O/c25-24(26,27)23(31,20-12-13-28-21-9-5-4-8-19(20)21)17-10-11-22-16(14-17)15-29-30(22)18-6-2-1-3-7-18/h1-15,31H
InChIKeyIEDVNTJOLFOWGR-UHFFFAOYSA-N
XLogP5.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol (CID 15980813) is 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol is OC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccnc2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol?
The InChIKey is IEDVNTJOLFOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O/c25-24(26,27)23(31,20-12-13-28-21-9-5-4-8-19(20)21)17-10-11-22-16(14-17)15-29-30(22)18-6-2-1-3-7-18/h1-15,31H.
What are the key properties of 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol?
2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol has a molecular weight of 419.41 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-phenylindazol-5-yl)-1-quinolin-4-ylethanol is sourced from PubChem (CID 15980813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).