EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XP34GU97FY
EPA CompTox	DTXSID2061989

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XP34GU97FY

EPA CompTox

DTXSID2061989


InChI Key	FUAAZWAMEVOHDT-UHFFFAOYSA-N
Smiles	Cc1cc2c(cc1)C(=CC(C)(C)N2)C
InChI	InChI=1S/C13H17N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-8,14H,1-4H3

InChI Key

FUAAZWAMEVOHDT-UHFFFAOYSA-N

Smiles

Cc1cc2c(cc1)C(=CC(C)(C)N2)C

InChI

InChI=1S/C13H17N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-8,14H,1-4H3

Property Name	Value
Molecular Formula	C13H17N1
Molecular Weight	187.14
AlogP	3.6
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	12.03
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H17N1

Molecular Weight

187.14

AlogP

3.6

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

12.03

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1810-62-4
NORMAN SUSDAT
FDA SRS	XP34GU97FY
PubChem	74551
ChemSpider	67130.0

Resources

Reference

CAS NUMBER

1810-62-4

NORMAN SUSDAT

FDA SRS

XP34GU97FY

PubChem

74551

ChemSpider

67130.0

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, 1,2-DIHYDRO-2,2,4,7-TETRAMETHYL-

Structure

Physicochemical Descriptors

Cross References