EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9VW18ABA26
EPA CompTox	DTXSID5066538

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9VW18ABA26

EPA CompTox

DTXSID5066538


InChI Key	MJXYFLJHTUSJGU-UHFFFAOYSA-N
Smiles	Cc1cc(=O)[nH]c2c1ccc(N)c2
InChI	InChI=1S/C10H10N2O/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3,(H,12,13)

InChI Key

MJXYFLJHTUSJGU-UHFFFAOYSA-N

Smiles

Cc1cc(=O)[nH]c2c1ccc(N)c2

InChI

InChI=1S/C10H10N2O/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3,(H,12,13)

Property Name	Value
Molecular Formula	C10H10N2O1
Molecular Weight	174.08
AlogP	1.83
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Polar Surface Area	59.14
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H10N2O1

Molecular Weight

174.08

AlogP

1.83

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Polar Surface Area

59.14

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	19840-99-4
NORMAN SUSDAT
FDA SRS	9VW18ABA26
PubChem	88277
ChemSpider	79637.0

Resources

Reference

CAS NUMBER

19840-99-4

NORMAN SUSDAT

FDA SRS

9VW18ABA26

PubChem

88277

ChemSpider

79637.0

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, 7-AMINO-4-METHYL-

Structure

Physicochemical Descriptors

Cross References