EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	62CM2B5HCH
EPA CompTox	DTXSID1066231

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

62CM2B5HCH

EPA CompTox

DTXSID1066231


InChI Key	GQRWKGBOBWHKHP-UHFFFAOYSA-N
Smiles	Cc1cc2nc(C)c(C)nc2cc1
InChI	InChI=1S/C11H12N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-6H,1-3H3

InChI Key

GQRWKGBOBWHKHP-UHFFFAOYSA-N

Smiles

Cc1cc2nc(C)c(C)nc2cc1

InChI

InChI=1S/C11H12N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-6H,1-3H3

Property Name	Value
Molecular Formula	C11H12N2
Molecular Weight	172.1
AlogP	2.56
Hydrogen Bond Acceptor	2.0
Polar Surface Area	25.78
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H12N2

Molecular Weight

172.1

AlogP

2.56

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	17635-21-1
NORMAN SUSDAT
FDA SRS	62CM2B5HCH
PubChem	87204
ChemSpider	78665.0

Resources

Reference

CAS NUMBER

17635-21-1

NORMAN SUSDAT

FDA SRS

62CM2B5HCH

PubChem

87204

ChemSpider

78665.0

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

QUINOXALINE, 2,3,6-TRIMETHYL-

Structure

Physicochemical Descriptors

Cross References