ZLBAVCLPWUWRMX-SNVBAGLBSA-N

Name: ZLBAVCLPWUWRMX-SNVBAGLBSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₅F₅N₂O₃ — CID 155214225

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 ZLBAVCLPWUWRMX-SNVBAGLBSA-N

ZLBAVCLPWUWRMX-SNVBAGLBSA-N (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 Name	ZLBAVCLPWUWRMX-SNVBAGLBSA-N
PubChem CID	155214225
Molecular Formula	C₂₀H₁₅F₅N₂O₃
Molecular Weight	426.34 g/mol
Exact Mass	426.10
IUPAC Name	5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILES	C[C@H](CO)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cc(F)c(F)c2c1
InChI	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
InChIKey	ZLBAVCLPWUWRMX-SNVBAGLBSA-N
XLogP	4.43
TPSA	71.45 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.34
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ZLBAVCLPWUWRMX-SNVBAGLBSA-N?

The IUPAC name of ZLBAVCLPWUWRMX-SNVBAGLBSA-N (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 ZLBAVCLPWUWRMX-SNVBAGLBSA-N?

The canonical SMILES for ZLBAVCLPWUWRMX-SNVBAGLBSA-N is C[C@H](CO)NC(=O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cc(F)c(F)c2c1.

What is the InChIKey of ZLBAVCLPWUWRMX-SNVBAGLBSA-N?

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 ZLBAVCLPWUWRMX-SNVBAGLBSA-N?

ZLBAVCLPWUWRMX-SNVBAGLBSA-N 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 ZLBAVCLPWUWRMX-SNVBAGLBSA-N is sourced from PubChem (CID 155214225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 155214225 — identifiers, structure, computed properties (public domain)

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