DGKFCYYBNPSMLK-UHFFFAOYSA-N

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

C₂₄H₁₈F₃N₃O₃ — CID 155213915

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

IUPACN-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide

SMILESO=C(NC(CO)c1ccccn1)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1

InChIInChI=1S/C24H18F3N3O3/c25-24(26,27)17-7-9-18(10-8-17)33-21-6-3-4-15-12-16(13-29-22(15)21)23(32)30-20(14-31)19-5-1-2-11-28-19/h1-13,20,31H,14H2,(H,30,32)

InChIKeyDGKFCYYBNPSMLK-UHFFFAOYSA-N

MW453.42 g/mol

LogP4.90

Rot. Bonds6

About DGKFCYYBNPSMLK-UHFFFAOYSA-N

DGKFCYYBNPSMLK-UHFFFAOYSA-N (PubChem CID 155213915) has the molecular formula C₂₄H₁₈F₃N₃O₃ and a molecular weight of 453.42 g/mol. Its IUPAC name is N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.

Molecular Properties

Compound Name	DGKFCYYBNPSMLK-UHFFFAOYSA-N
PubChem CID	155213915
Molecular Formula	C₂₄H₁₈F₃N₃O₃
Molecular Weight	453.42 g/mol
Exact Mass	453.13
IUPAC Name	N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
SMILES	O=C(NC(CO)c1ccccn1)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChI	InChI=1S/C24H18F3N3O3/c25-24(26,27)17-7-9-18(10-8-17)33-21-6-3-4-15-12-16(13-29-22(15)21)23(32)30-20(14-31)19-5-1-2-11-28-19/h1-13,20,31H,14H2,(H,30,32)
InChIKey	DGKFCYYBNPSMLK-UHFFFAOYSA-N
XLogP	4.90
TPSA	84.34 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.42
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of DGKFCYYBNPSMLK-UHFFFAOYSA-N (CID 155213915) is N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide.

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

The canonical SMILES for DGKFCYYBNPSMLK-UHFFFAOYSA-N is O=C(NC(CO)c1ccccn1)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.

What is the InChIKey of DGKFCYYBNPSMLK-UHFFFAOYSA-N?

The InChIKey is DGKFCYYBNPSMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c25-24(26,27)17-7-9-18(10-8-17)33-21-6-3-4-15-12-16(13-29-22(15)21)23(32)30-20(14-31)19-5-1-2-11-28-19/h1-13,20,31H,14H2,(H,30,32).

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

DGKFCYYBNPSMLK-UHFFFAOYSA-N has a molecular weight of 453.42 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for DGKFCYYBNPSMLK-UHFFFAOYSA-N is sourced from PubChem (CID 155213915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155213915 — identifiers, structure, computed properties (public domain)

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