XJHPJCQUYQSCNH-UHFFFAOYSA-N

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

C₂₆H₂₁F₃N₄O₂ — CID 118273506

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

IUPAC(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(c2ccccc2)CC1

InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)19-7-11-24(30-17-19)35-21-8-10-22-18(16-21)6-9-23(31-22)25(34)33-14-12-32(13-15-33)20-4-2-1-3-5-20/h1-11,16-17H,12-15H2

InChIKeyXJHPJCQUYQSCNH-UHFFFAOYSA-N

MW478.47 g/mol

LogP5.40

Rot. Bonds4

About XJHPJCQUYQSCNH-UHFFFAOYSA-N

XJHPJCQUYQSCNH-UHFFFAOYSA-N (PubChem CID 118273506) has the molecular formula C₂₆H₂₁F₃N₄O₂ and a molecular weight of 478.47 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name	XJHPJCQUYQSCNH-UHFFFAOYSA-N
PubChem CID	118273506
Molecular Formula	C₂₆H₂₁F₃N₄O₂
Molecular Weight	478.47 g/mol
Exact Mass	478.16
IUPAC Name	(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILES	O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(c2ccccc2)CC1
InChI	InChI=1S/C26H21F3N4O2/c27-26(28,29)19-7-11-24(30-17-19)35-21-8-10-22-18(16-21)6-9-23(31-22)25(34)33-14-12-32(13-15-33)20-4-2-1-3-5-20/h1-11,16-17H,12-15H2
InChIKey	XJHPJCQUYQSCNH-UHFFFAOYSA-N
XLogP	5.40
TPSA	58.56 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.47
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of XJHPJCQUYQSCNH-UHFFFAOYSA-N (CID 118273506) is (4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

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

The canonical SMILES for XJHPJCQUYQSCNH-UHFFFAOYSA-N is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(c2ccccc2)CC1.

What is the InChIKey of XJHPJCQUYQSCNH-UHFFFAOYSA-N?

The InChIKey is XJHPJCQUYQSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c27-26(28,29)19-7-11-24(30-17-19)35-21-8-10-22-18(16-21)6-9-23(31-22)25(34)33-14-12-32(13-15-33)20-4-2-1-3-5-20/h1-11,16-17H,12-15H2.

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

XJHPJCQUYQSCNH-UHFFFAOYSA-N has a molecular weight of 478.47 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for XJHPJCQUYQSCNH-UHFFFAOYSA-N is sourced from PubChem (CID 118273506), 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 118273506 — identifiers, structure, computed properties (public domain)

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