YHNUEFNPQFEHMB-UHFFFAOYSA-N

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

C₁₇H₁₃F₃N₂O — CID 152521142

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

IUPACN-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine

SMILESCNc1ccc(Oc2cccc(C(F)(F)F)c2)c2ncccc12

InChIInChI=1S/C17H13F3N2O/c1-21-14-7-8-15(16-13(14)6-3-9-22-16)23-12-5-2-4-11(10-12)17(18,19)20/h2-10,21H,1H3

InChIKeyYHNUEFNPQFEHMB-UHFFFAOYSA-N

MW318.30 g/mol

LogP5.09

Rot. Bonds3

About YHNUEFNPQFEHMB-UHFFFAOYSA-N

YHNUEFNPQFEHMB-UHFFFAOYSA-N (PubChem CID 152521142) has the molecular formula C₁₇H₁₃F₃N₂O and a molecular weight of 318.30 g/mol. Its IUPAC name is N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine.

Molecular Properties

Compound Name	YHNUEFNPQFEHMB-UHFFFAOYSA-N
PubChem CID	152521142
Molecular Formula	C₁₇H₁₃F₃N₂O
Molecular Weight	318.30 g/mol
Exact Mass	318.10
IUPAC Name	N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine
SMILES	CNc1ccc(Oc2cccc(C(F)(F)F)c2)c2ncccc12
InChI	InChI=1S/C17H13F3N2O/c1-21-14-7-8-15(16-13(14)6-3-9-22-16)23-12-5-2-4-11(10-12)17(18,19)20/h2-10,21H,1H3
InChIKey	YHNUEFNPQFEHMB-UHFFFAOYSA-N
XLogP	5.09
TPSA	34.15 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	318.30
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of YHNUEFNPQFEHMB-UHFFFAOYSA-N (CID 152521142) is N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine.

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

The canonical SMILES for YHNUEFNPQFEHMB-UHFFFAOYSA-N is CNc1ccc(Oc2cccc(C(F)(F)F)c2)c2ncccc12.

What is the InChIKey of YHNUEFNPQFEHMB-UHFFFAOYSA-N?

The InChIKey is YHNUEFNPQFEHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-21-14-7-8-15(16-13(14)6-3-9-22-16)23-12-5-2-4-11(10-12)17(18,19)20/h2-10,21H,1H3.

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

YHNUEFNPQFEHMB-UHFFFAOYSA-N has a molecular weight of 318.30 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for YHNUEFNPQFEHMB-UHFFFAOYSA-N is sourced from PubChem (CID 152521142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 152521142 — identifiers, structure, computed properties (public domain)

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