GJZRDXHRKJFPCJ-UHFFFAOYSA-N

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

C₂₃H₂₀F₃N₃O₄ — CID 118273508

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

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC2(CC1)OCCO2

InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)16-2-6-20(27-14-16)33-17-3-5-18-15(13-17)1-4-19(28-18)21(30)29-9-7-22(8-10-29)31-11-12-32-22/h1-6,13-14H,7-12H2

InChIKeyGJZRDXHRKJFPCJ-UHFFFAOYSA-N

MW459.42 g/mol

LogP4.42

Rot. Bonds3

About GJZRDXHRKJFPCJ-UHFFFAOYSA-N

GJZRDXHRKJFPCJ-UHFFFAOYSA-N (PubChem CID 118273508) has the molecular formula C₂₃H₂₀F₃N₃O₄ and a molecular weight of 459.42 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name	GJZRDXHRKJFPCJ-UHFFFAOYSA-N
PubChem CID	118273508
Molecular Formula	C₂₃H₂₀F₃N₃O₄
Molecular Weight	459.42 g/mol
Exact Mass	459.14
IUPAC Name	1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILES	O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC2(CC1)OCCO2
InChI	InChI=1S/C23H20F3N3O4/c24-23(25,26)16-2-6-20(27-14-16)33-17-3-5-18-15(13-17)1-4-19(28-18)21(30)29-9-7-22(8-10-29)31-11-12-32-22/h1-6,13-14H,7-12H2
InChIKey	GJZRDXHRKJFPCJ-UHFFFAOYSA-N
XLogP	4.42
TPSA	73.78 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.42
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of GJZRDXHRKJFPCJ-UHFFFAOYSA-N?

The IUPAC name of GJZRDXHRKJFPCJ-UHFFFAOYSA-N (CID 118273508) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

What is the SMILES notation for GJZRDXHRKJFPCJ-UHFFFAOYSA-N?

The canonical SMILES for GJZRDXHRKJFPCJ-UHFFFAOYSA-N is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCC2(CC1)OCCO2.

What is the InChIKey of GJZRDXHRKJFPCJ-UHFFFAOYSA-N?

The InChIKey is GJZRDXHRKJFPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c24-23(25,26)16-2-6-20(27-14-16)33-17-3-5-18-15(13-17)1-4-19(28-18)21(30)29-9-7-22(8-10-29)31-11-12-32-22/h1-6,13-14H,7-12H2.

What are the key properties of GJZRDXHRKJFPCJ-UHFFFAOYSA-N?

GJZRDXHRKJFPCJ-UHFFFAOYSA-N has a molecular weight of 459.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for GJZRDXHRKJFPCJ-UHFFFAOYSA-N is sourced from PubChem (CID 118273508), 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 118273508 — identifiers, structure, computed properties (public domain)

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