4-Methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitrobenzonitrile

C₁₅H₁₉N₃O₅CAS 675126-26-8321.33 g/mol

Open in Covalent MOL file

Ether Nitrile Nitro Tertiary amine

Properties

Molecular formula: C₁₅H₁₉N₃O₅
Molar mass: 321.33 g/mol
Exact mass: 321.1325 Da
Melting point: 127 °C
logP: 1.58Crippen estimate
Polar surface area: 97.9 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 7

Identifiers

CAS number

675126-26-8

SMILES

COc1cc([N+](=O)[O-])c(C#N)cc1OCCCN1CCOCC1

InChIKey

FYCDMKYKGPHRFW-UHFFFAOYSA-N

InChI

InChI=1S/C15H19N3O5/c1-21-14-10-13(18(19)20)12(11-16)9-15(14)23-6-2-3-17-4-7-22-8-5-17/h9-10H,2-8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Benzonitrile, 4-methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitro-
4-Methoxy-5-(3-morpholinopropoxy)-2-nitrobenzonitrile
2-Nitro-4-methoxy-5-[3-(morpholin-4-yl)]propoxybenzonitrile

Work with 4-Methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitrobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,5-Dimethoxy-2-nitrobenzonitrile102714-71-665 % similar 2-Cyano-5-nitroanisole101084-96-243 % similar N'-(2-Cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylformimidamide1269400-04-543 % similar 7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-242 % similar 4-(2,5-Diethoxy-4-nitrophenyl)morpholine86-16-840 % similar 2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene92878-95-040 % similar 4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-640 % similar Bosutinib380843-75-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook