EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MP7ET1KLE9
EPA CompTox	DTXSID4061123

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MP7ET1KLE9

EPA CompTox

DTXSID4061123


InChI Key	XUGNJOCQALIQFG-UHFFFAOYSA-N
Smiles	C=Cc1ccc2ccccc2n1
InChI	InChI=1S/C11H9N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-8H,1H2

InChI Key

XUGNJOCQALIQFG-UHFFFAOYSA-N

Smiles

C=Cc1ccc2ccccc2n1

InChI

InChI=1S/C11H9N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-8H,1H2

Property Name	Value
Molecular Formula	C11H9N1
Molecular Weight	155.07
AlogP	2.88
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	12.89
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C11H9N1

Molecular Weight

155.07

AlogP

2.88

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

12.89

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	772-03-2
NORMAN SUSDAT
FDA SRS	MP7ET1KLE9
PubChem	69875
ChemSpider	63070.0

Resources

Reference

CAS NUMBER

772-03-2

NORMAN SUSDAT

FDA SRS

MP7ET1KLE9

PubChem

69875

ChemSpider

63070.0

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

QUINOLINE, 2-ETHENYL-

Structure

Physicochemical Descriptors

Cross References