N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride

C32H43Cl2N3O2 — CID 24881945

IUPACN-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(CCNc3c4c(nc5ccccc35)CCCC4)CC1)C2.Cl.Cl
InChIInChI=1S/C32H41N3O2.2ClH/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32;;/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34);2*1H
InChIKeyJZTGRUQYXHMXTD-UHFFFAOYSA-N
MW572.62 g/mol
LogP6.90
Rot. Bonds8

About N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride

N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride (PubChem CID 24881945) has the molecular formula C32H43Cl2N3O2 and a molecular weight of 572.62 g/mol. Its IUPAC name is N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride.

Molecular Properties

Compound NameN-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride
PubChem CID24881945
Molecular FormulaC32H43Cl2N3O2
Molecular Weight572.62 g/mol
Exact Mass571.27
IUPAC NameN-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(CCNc3c4c(nc5ccccc35)CCCC4)CC1)C2.Cl.Cl
InChIInChI=1S/C32H41N3O2.2ClH/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32;;/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34);2*1H
InChIKeyJZTGRUQYXHMXTD-UHFFFAOYSA-N
XLogP6.90
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride with MolForge

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Related Compounds

Marckine
CID 604599
5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-ylamino)-heptylamino]-methyl}-indan-1-one
CID 10075220
Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023
6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidin-1-yl}propyl)amino]-1,2,3,4-tetrahydroacridine dihydrochloride
CID 24994026
(1R)-1-(((2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-6-ol
CID 72341
Deoxytubulosine
CID 165003
N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-9-amine (8e)
CID 122199175
5,6-Dimethoxy-2-{[6-(1,2,3,4-tetrahydro-acridin-9-ylamino)-hexylamino]-methyl}-indan-1-one
CID 10323763
N-[2-[5-[5-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 11204419
N-[2-[5-[5-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 11262146
N-[2-[5-[6-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 11342706
N-[2-[5-[6-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]hexyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 11365750

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride?
The IUPAC name of N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride (CID 24881945) is N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride.
What is the SMILES notation for N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride?
The canonical SMILES for N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride is COc1cc2c(cc1OC)CC(CC1CCN(CCNc3c4c(nc5ccccc35)CCCC4)CC1)C2.Cl.Cl.
What is the InChIKey of N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride?
The InChIKey is JZTGRUQYXHMXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O2.2ClH/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32;;/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34);2*1H.
What are the key properties of N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride?
N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride has a molecular weight of 572.62 g/mol, XLogP of 6.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride is sourced from PubChem (CID 24881945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).