EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	U4K85O58HD
EPA CompTox	DTXSID70193519

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

U4K85O58HD

EPA CompTox

DTXSID70193519


InChI Key	ZWOUXWWGKJBAHQ-UHFFFAOYSA-N
Smiles	CC(C)N1C(=O)N=C(c2ccc(F)cc2)c3ccc(C)cc13
InChI	InChI=1S/C18H17FN2O/c1-11(2)21-16-10-12(3)4-9-15(16)17(20-18(21)22)13-5-7-14(19)8-6-13/h4-11H,1-3H3

InChI Key

ZWOUXWWGKJBAHQ-UHFFFAOYSA-N

Smiles

CC(C)N1C(=O)N=C(c2ccc(F)cc2)c3ccc(C)cc13

InChI

InChI=1S/C18H17FN2O/c1-11(2)21-16-10-12(3)4-9-15(16)17(20-18(21)22)13-5-7-14(19)8-6-13/h4-11H,1-3H3

Property Name	Value
Molecular Formula	C18H17F1N2O1
Molecular Weight	296.13
AlogP	4.09
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	34.89
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H17F1N2O1

Molecular Weight

296.13

AlogP

4.09

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

34.89

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	40507-23-1
NORMAN SUSDAT
FDA SRS	U4K85O58HD

Resources

Reference

CAS NUMBER

40507-23-1

NORMAN SUSDAT

FDA SRS

U4K85O58HD

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FLUPROQUAZONE

Structure

Physicochemical Descriptors

Cross References