EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GR9M8HW75Z
EPA CompTox	DTXSID2060381

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GR9M8HW75Z

EPA CompTox

DTXSID2060381


InChI Key	GCMNJUJAKQGROZ-UHFFFAOYSA-N
Smiles	Nc1nc2c(cccc2)cc1
InChI	InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)

InChI Key

GCMNJUJAKQGROZ-UHFFFAOYSA-N

Smiles

Nc1nc2c(cccc2)cc1

InChI

InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)

Property Name	Value
Molecular Formula	C9H8N2
Molecular Weight	144.07
AlogP	1.65
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Polar Surface Area	39.64
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C9H8N2

Molecular Weight

144.07

AlogP

1.65

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Polar Surface Area

39.64

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	580-22-3
NORMAN SUSDAT
FDA SRS	GR9M8HW75Z
PubChem	11379
ChemSpider	10901.0

Resources

Reference

CAS NUMBER

580-22-3

NORMAN SUSDAT

FDA SRS

GR9M8HW75Z

PubChem

11379

ChemSpider

10901.0

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, 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

2-QUINOLINAMINE

Structure

Physicochemical Descriptors

Cross References