4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide

C25H17F3N4O2 — CID 15980811

IUPAC4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccccc2c1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C25H17F3N4O2/c26-25(27,28)24(34,22-18-8-4-5-9-20(18)30-14-19(22)23(29)33)16-10-11-21-15(12-16)13-31-32(21)17-6-2-1-3-7-17/h1-14,34H,(H2,29,33)
InChIKeyPLWUPDQFGPDMFV-UHFFFAOYSA-N
MW462.43 g/mol
LogP4.47
Rot. Bonds4

About 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide

4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide (PubChem CID 15980811) has the molecular formula C25H17F3N4O2 and a molecular weight of 462.43 g/mol. Its IUPAC name is 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide
PubChem CID15980811
Molecular FormulaC25H17F3N4O2
Molecular Weight462.43 g/mol
Exact Mass462.13
IUPAC Name4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccccc2c1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C25H17F3N4O2/c26-25(27,28)24(34,22-18-8-4-5-9-20(18)30-14-19(22)23(29)33)16-10-11-21-15(12-16)13-31-32(21)17-6-2-1-3-7-17/h1-14,34H,(H2,29,33)
InChIKeyPLWUPDQFGPDMFV-UHFFFAOYSA-N
XLogP4.47
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide 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 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide (CID 15980811) is 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide is NC(=O)c1cnc2ccccc2c1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide?
The InChIKey is PLWUPDQFGPDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O2/c26-25(27,28)24(34,22-18-8-4-5-9-20(18)30-14-19(22)23(29)33)16-10-11-21-15(12-16)13-31-32(21)17-6-2-1-3-7-17/h1-14,34H,(H2,29,33).
What are the key properties of 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide?
4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2,2-trifluoro-1-hydroxy-1-(1-phenylindazol-5-yl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 15980811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).