EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	OH2A0NMA88
EPA CompTox	DTXSID10170208

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

OH2A0NMA88

EPA CompTox

DTXSID10170208


InChI Key	FIEYHAAMDAPVCH-UHFFFAOYSA-N
Smiles	Cc1nc(=O)c2c([nH]1)cccc2
InChI	InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)

InChI Key

FIEYHAAMDAPVCH-UHFFFAOYSA-N

Smiles

Cc1nc(=O)c2c([nH]1)cccc2

InChI

InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)

Property Name	Value
Molecular Formula	C9H8N2O1
Molecular Weight	160.06
AlogP	1.64
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	46.01
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H8N2O1

Molecular Weight

160.06

AlogP

1.64

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

46.01

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	1769-24-0
NORMAN SUSDAT
FDA SRS	OH2A0NMA88
PubChem	15674
ChemSpider	14909.0

Resources

Reference

CAS NUMBER

1769-24-0

NORMAN SUSDAT

FDA SRS

OH2A0NMA88

PubChem

15674

ChemSpider

14909.0

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-METHYL-4(3H)-QUINAZOLINONE

Structure

Physicochemical Descriptors

Cross References