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C38H38N4O6CAS 206873-63-4646.74 g/mol

Open in Covalent MOL file
OONNHOOONHON
AmideEtherTertiary amine

Properties

Molecular formula
C38H38N4O6
Molar mass
646.74 g/mol
Exact mass
646.2791 Da
logP
6.76Crippen estimate
Polar surface area
114.7 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
11

Identifiers

CAS number
206873-63-4
SMILES
COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3N=C(O)c3cnc4ccccc4c3)cc1)CC2
InChIKey
LGGHDPFKSSRQNS-UHFFFAOYSA-N
InChI
InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)

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Names and synonyms

3 names
  • 3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-
  • N-[2-[[[4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-3-quinolinecarboxamide
  • XR 9576

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Similar compounds

Elacridar143664-11-349 % similar 3-Hydroxy-N-(4-methoxyphenyl)-2-naphthalenecarboxamide92-79-533 % similar 3-Quinolinecarboxylic acid6480-68-832 % similar Donepezil120014-06-431 % similar 3-Hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide135-62-630 % similar Donepezil hydrochloride120011-70-330 % similar

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

Elsewhere

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