EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EUD4ZLB25R
EPA CompTox	DTXSID40856801

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EUD4ZLB25R

EPA CompTox

DTXSID40856801


InChI Key	RHYGTJXOHOGQGI-UHFFFAOYSA-N
Smiles	C1CCC(CC1)CN2C=C(C3=CC=CC=C32)C(=O)OC4=CC=CC5=C4N=CC=C5
InChI	InChI=1S/C25H24N2O2/c28-25(29-23-14-6-10-19-11-7-15-26-24(19)23)21-17-27(16-18-8-2-1-3-9-18)22-13-5-4-12-20(21)22/h4-7,10-15,17-18H,1-3,8-9,16H2

InChI Key

RHYGTJXOHOGQGI-UHFFFAOYSA-N

Smiles

C1CCC(CC1)CN2C=C(C3=CC=CC=C32)C(=O)OC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H24N2O2/c28-25(29-23-14-6-10-19-11-7-15-26-24(19)23)21-17-27(16-18-8-2-1-3-9-18)22-13-5-4-12-20(21)22/h4-7,10-15,17-18H,1-3,8-9,16H2

Property Name	Value
Molecular Formula	C25H24N2O2
Molecular Weight	384.18
AlogP	5.99
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	44.12
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C25H24N2O2

Molecular Weight

384.18

AlogP

5.99

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

44.12

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	1400742-42-8
NORMAN SUSDAT
FDA SRS	EUD4ZLB25R
PubChem	71711120
ChemSpider	29339967.0

Resources

Reference

CAS NUMBER

1400742-42-8

NORMAN SUSDAT

FDA SRS

EUD4ZLB25R

PubChem

71711120

ChemSpider

29339967.0

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...

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

Last update: Monday, 3 November 2025

QUINOLIN-8-YL 1-(CYCLOHEXYLMETHYL)-1H-INDOLE-3-CARBOXYLATE

Structure

Physicochemical Descriptors

Cross References