N-(5-(2,3-Dihydrobenzo[B][1,4]dioxine-6-carboxamido)-2-methylphenyl)-2-(2-(pyrrolidin-1-yl)ethoxy)quinoline-6-carboxamide

C₃₂H₃₂N₄O₅CAS 1693731-40-6552.63 g/mol

Open in Covalent MOL file

Amide Ether Tertiary amine

Properties

Molecular formula: C₃₂H₃₂N₄O₅
Molar mass: 552.63 g/mol
Exact mass: 552.2373 Da
logP: 5.29Crippen estimate
Polar surface area: 102.0 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1693731-40-6

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=C(C=C4)N=C(C=C5)OCCN6CCCC6

InChIKey

KLHOCHQJHXNKAS-UHFFFAOYSA-N

InChI

InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)

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

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