EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0JG7T552Y9
EPA CompTox	DTXSID9065493

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0JG7T552Y9

EPA CompTox

DTXSID9065493


InChI Key	ONUKVSFEFHPRKD-UHFFFAOYSA-N
Smiles	CCn1c(=O)c(cc2ccc(cc12)N(C)C)c1ccccc1
InChI	InChI=1S/C19H20N2O/c1-4-21-18-13-16(20(2)3)11-10-15(18)12-17(19(21)22)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3

InChI Key

ONUKVSFEFHPRKD-UHFFFAOYSA-N

Smiles

CCn1c(=O)c(cc2ccc(cc12)N(C)C)c1ccccc1

InChI

InChI=1S/C19H20N2O/c1-4-21-18-13-16(20(2)3)11-10-15(18)12-17(19(21)22)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3

Property Name	Value
Molecular Formula	C19H20N2O1
Molecular Weight	292.16
AlogP	3.75
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	25.24
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H20N2O1

Molecular Weight

292.16

AlogP

3.75

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

25.24

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	13468-27-4
NORMAN SUSDAT
FDA SRS	0JG7T552Y9
PubChem	83503
ChemSpider	75338.0

Resources

Reference

CAS NUMBER

13468-27-4

NORMAN SUSDAT

FDA SRS

0JG7T552Y9

PubChem

83503

ChemSpider

75338.0

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)-1-ETHYL-3-PHENYL-

Structure

Physicochemical Descriptors

Cross References