N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-nitrophenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea

HCID 21890764
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-])c1cccc(C)c1
InChIKey
YSXFEZZFDMBPBK-UHFFFAOYSA-N
Molecular formula
C29H31N5O6
Average molar mass
545.6 g/mol
Monoisotopic mass
545.22743373

Names & identifiers

Preferred name
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-nitrophenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea
IUPAC
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

Names & synonyms

SCHEMBL5825041YSXFEZZFDMBPBK-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-nitrophenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea

Database identifiers

PubChem CID
21890764

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
131 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

Loading…