EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BHC8LHS2S0
EPA CompTox	DTXSID6067177

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BHC8LHS2S0

EPA CompTox

DTXSID6067177


InChI Key	LHWKOWLGYNIFSM-UHFFFAOYSA-N
Smiles	CN(C)c1cc2c(cc1)c(C)cc(=O)[nH]2
InChI	InChI=1S/C12H14N2O/c1-8-6-12(15)13-11-7-9(14(2)3)4-5-10(8)11/h4-7H,1-3H3,(H,13,15)

InChI Key

LHWKOWLGYNIFSM-UHFFFAOYSA-N

Smiles

CN(C)c1cc2c(cc1)c(C)cc(=O)[nH]2

InChI

InChI=1S/C12H14N2O/c1-8-6-12(15)13-11-7-9(14(2)3)4-5-10(8)11/h4-7H,1-3H3,(H,13,15)

Property Name	Value
Molecular Formula	C12H14N2O1
Molecular Weight	202.11
AlogP	2.31
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	36.36
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H14N2O1

Molecular Weight

202.11

AlogP

2.31

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

36.36

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	26078-23-9
NORMAN SUSDAT
FDA SRS	BHC8LHS2S0
PubChem	73108
ChemSpider	65890.0

Resources

Reference

CAS NUMBER

26078-23-9

NORMAN SUSDAT

FDA SRS

BHC8LHS2S0

PubChem

73108

ChemSpider

65890.0

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-(DIMETHYLAMINO)-4-METHYL-

Structure

Physicochemical Descriptors

Cross References