EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BH76UU379C
EPA CompTox	DTXSID20184472

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BH76UU379C

EPA CompTox

DTXSID20184472


InChI Key	UTTJAIFHRUAFED-UHFFFAOYSA-N
Smiles	Oc1cccc2c1CCC(=O)N2
InChI	InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-3,11H,4-5H2,(H,10,12)

InChI Key

UTTJAIFHRUAFED-UHFFFAOYSA-N

Smiles

Oc1cccc2c1CCC(=O)N2

InChI

InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-3,11H,4-5H2,(H,10,12)

Property Name	Value
Molecular Formula	C9H9N1O2
Molecular Weight	163.06
AlogP	1.93
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.82
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H9N1O2

Molecular Weight

163.06

AlogP

1.93

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.82

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	30389-33-4
NORMAN SUSDAT
FDA SRS	BH76UU379C
PubChem	169153
ChemSpider	85210.0

Resources

Reference

CAS NUMBER

30389-33-4

NORMAN SUSDAT

FDA SRS

BH76UU379C

PubChem

169153

ChemSpider

85210.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2(1H)-QUINOLINONE, 3,4-DIHYDRO-5-HYDROXY-

Structure

Physicochemical Descriptors

Cross References