QQUGIEHSYUJXQF-UHFFFAOYSA-N

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

C₃₀H₂₈F₃N₃O₂ — CID 126517928

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

IUPAC4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

SMILESCC1CN(c2ccc(-c3cnc4c(-c5ccc(OC(F)(F)F)cc5)cccc4c3C3CC3)cn2)CC(C)O1

InChIInChI=1S/C30H28F3N3O2/c1-18-16-36(17-19(2)37-18)27-13-10-22(14-34-27)26-15-35-29-24(4-3-5-25(29)28(26)21-6-7-21)20-8-11-23(12-9-20)38-30(31,32)33/h3-5,8-15,18-19,21H,6-7,16-17H2,1-2H3

InChIKeyQQUGIEHSYUJXQF-UHFFFAOYSA-N

MW519.57 g/mol

LogP7.35

Rot. Bonds5

About QQUGIEHSYUJXQF-UHFFFAOYSA-N

QQUGIEHSYUJXQF-UHFFFAOYSA-N (PubChem CID 126517928) has the molecular formula C₃₀H₂₈F₃N₃O₂ and a molecular weight of 519.57 g/mol. Its IUPAC name is 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name	QQUGIEHSYUJXQF-UHFFFAOYSA-N
PubChem CID	126517928
Molecular Formula	C₃₀H₂₈F₃N₃O₂
Molecular Weight	519.57 g/mol
Exact Mass	519.21
IUPAC Name	4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
SMILES	CC1CN(c2ccc(-c3cnc4c(-c5ccc(OC(F)(F)F)cc5)cccc4c3C3CC3)cn2)CC(C)O1
InChI	InChI=1S/C30H28F3N3O2/c1-18-16-36(17-19(2)37-18)27-13-10-22(14-34-27)26-15-35-29-24(4-3-5-25(29)28(26)21-6-7-21)20-8-11-23(12-9-20)38-30(31,32)33/h3-5,8-15,18-19,21H,6-7,16-17H2,1-2H3
InChIKey	QQUGIEHSYUJXQF-UHFFFAOYSA-N
XLogP	7.35
TPSA	47.48 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.57
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of QQUGIEHSYUJXQF-UHFFFAOYSA-N (CID 126517928) is 4-[5-[4-cyclopropyl-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

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

The canonical SMILES for QQUGIEHSYUJXQF-UHFFFAOYSA-N is CC1CN(c2ccc(-c3cnc4c(-c5ccc(OC(F)(F)F)cc5)cccc4c3C3CC3)cn2)CC(C)O1.

What is the InChIKey of QQUGIEHSYUJXQF-UHFFFAOYSA-N?

The InChIKey is QQUGIEHSYUJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O2/c1-18-16-36(17-19(2)37-18)27-13-10-22(14-34-27)26-15-35-29-24(4-3-5-25(29)28(26)21-6-7-21)20-8-11-23(12-9-20)38-30(31,32)33/h3-5,8-15,18-19,21H,6-7,16-17H2,1-2H3.

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

QQUGIEHSYUJXQF-UHFFFAOYSA-N has a molecular weight of 519.57 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for QQUGIEHSYUJXQF-UHFFFAOYSA-N is sourced from PubChem (CID 126517928), 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 126517928 — identifiers, structure, computed properties (public domain)

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