5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide

C20H15F5N2O3 — CID 155214225

IUPAC5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cc(F)c(F)c2c1
InChIInChI=1S/C20H15F5N2O3/c1-10(9-28)27-19(29)11-6-14-17(22)15(21)7-16(18(14)26-8-11)30-13-4-2-12(3-5-13)20(23,24)25/h2-8,10,28H,9H2,1H3,(H,27,29)/t10-/m1/s1
InChIKeyZLBAVCLPWUWRMX-SNVBAGLBSA-N
MW426.34 g/mol
LogP4.43
Rot. Bonds5

About 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide

5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (PubChem CID 155214225) has the molecular formula C20H15F5N2O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.

Molecular Properties

Compound Name5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
PubChem CID155214225
Molecular FormulaC20H15F5N2O3
Molecular Weight426.34 g/mol
Exact Mass426.10
IUPAC Name5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cc(F)c(F)c2c1
InChIInChI=1S/C20H15F5N2O3/c1-10(9-28)27-19(29)11-6-14-17(22)15(21)7-16(18(14)26-8-11)30-13-4-2-12(3-5-13)20(23,24)25/h2-8,10,28H,9H2,1H3,(H,27,29)/t10-/m1/s1
InChIKeyZLBAVCLPWUWRMX-SNVBAGLBSA-N
XLogP4.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]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 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The IUPAC name of 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide (CID 155214225) is 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.
What is the SMILES notation for 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The canonical SMILES for 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is C[C@H](CO)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cc(F)c(F)c2c1.
What is the InChIKey of 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
The InChIKey is ZLBAVCLPWUWRMX-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H15F5N2O3/c1-10(9-28)27-19(29)11-6-14-17(22)15(21)7-16(18(14)26-8-11)30-13-4-2-12(3-5-13)20(23,24)25/h2-8,10,28H,9H2,1H3,(H,27,29)/t10-/m1/s1.
What are the key properties of 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide?
5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide has a molecular weight of 426.34 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide is sourced from PubChem (CID 155214225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).