2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene

ChEBI ID	CHEBI:192743

ChEBI ASCII Name	2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene

Definition	A member of the class of chromenes that is 4H-chromene substituted by amino, cyano, 3-nitrophenyl, and dimethylamino groups at positions 2, 3, 4 and 7, respectively. It exhibits anti-cancer activity.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Stan Laulederkind

Supplier Information

Download	Molfile XML SDF

Formula

C18H16N4O3

Net Charge

Average Mass

336.351

Monoisotopic Mass

336.12224

InChI

InChI=1S/C18H16N4O3/c1-21(2)12-6-7-14-16(9-12)25-18(20)15(10-19)17(14)11-4-3-5-13(8-11)22(23)24/h3-9,17H,20H2,1-2H3

InChIKey

PNHBABGLCCOXEK-UHFFFAOYSA-N

SMILES

CN(C)C1=CC=C2C(C3=CC(=CC=C3)[N+]([O-])=O)C(C#N)=C(N)OC2=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) has role antineoplastic agent (CHEBI:35610) 2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) has role apoptosis inducer (CHEBI:68495) 2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a C-nitro compound (CHEBI:35716) 2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a aminochromene (CHEBI:38676) 2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a benzenes (CHEBI:22712) 2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a nitrile (CHEBI:18379) 2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a primary amino compound (CHEBI:50994) 2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene (CHEBI:192743) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

2-amino-7-(dimethylamino)-4-(3-nitrophenyl)-4H-chromene-3-carbonitrile

Synonyms	Sources
2-amino-7-(dimethylamino)-4-(3-nitrophenyl)-4H-1-benzopyran-3-carbonitrile	IUPAC
3-NC	SUBMITTER

Last Modified

21 February 2023

General Comment
2023-02-21	Relevant article: https://doi.org/10.1007/s00044-010-9418-y