EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QG62RG4773
EPA CompTox	DTXSID00179028

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QG62RG4773

EPA CompTox

DTXSID00179028


InChI Key	RDFSPMPXDYGXHP-UHFFFAOYSA-N
Smiles	N=1C=2C=CC=CC2C3=CC=4C=CC=CC4NC13
InChI	InChI=1/C15H10N2/c1-3-7-13-10(5-1)9-12-11-6-2-4-8-14(11)17-15(12)16-13/h1-9H,(H,16,17)

InChI Key

RDFSPMPXDYGXHP-UHFFFAOYSA-N

Smiles

N=1C=2C=CC=CC2C3=CC=4C=CC=CC4NC13

InChI

InChI=1/C15H10N2/c1-3-7-13-10(5-1)9-12-11-6-2-4-8-14(11)17-15(12)16-13/h1-9H,(H,16,17)

Property Name	Value
Molecular Formula	C15H10N2
Molecular Weight	218.08
AlogP	3.87
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	28.68
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H10N2

Molecular Weight

218.08

AlogP

3.87

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

28.68

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	243-38-9
NORMAN SUSDAT
FDA SRS	QG62RG4773
PubChem	67484

Resources

Reference

CAS NUMBER

243-38-9

NORMAN SUSDAT

FDA SRS

QG62RG4773

PubChem

67484

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

5H-QUININDOLINE

Structure

Physicochemical Descriptors

Cross References