6-chloro-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

C32H40ClN3O2 — CID 24882005

IUPAC6-chloro-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
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2
InChIInChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)
InChIKeyPOLUICWPCFPRKU-UHFFFAOYSA-N
MW534.14 g/mol
LogP6.71
Rot. Bonds8

About 6-chloro-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

6-chloro-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 (PubChem CID 24882005) has the molecular formula C32H40ClN3O2 and a molecular weight of 534.14 g/mol. Its IUPAC name is 6-chloro-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.

Molecular Properties

Compound Name6-chloro-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
PubChem CID24882005
Molecular FormulaC32H40ClN3O2
Molecular Weight534.14 g/mol
Exact Mass533.28
IUPAC Name6-chloro-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
SMILESCOc1cc2c(cc1OC)CC(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2
InChIInChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)
InChIKeyPOLUICWPCFPRKU-UHFFFAOYSA-N
XLogP6.71
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.14
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-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 with MolForge

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Related Compounds

N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
CID 9831373
1,4-Butanediamine, N-(6-chloro-2-methoxy-9-acridinyl)-N'-(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)-
CID 151378
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
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]-N'-methylpropane-1,3-diamine
CID 44422529
1,2-Ethanediamine, N'-(6-chloro-2-methoxy-9-acridinyl)-N,N-diethyl-
CID 12027827
6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-9-amine (9e)
CID 122199179
6-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrahydroacridin-9-amine (11b)
CID 122199184
5,6-Dimethoxy-2-[[1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;dihydrochloride
CID 24881876
N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;dihydrochloride
CID 24881949
2-[[1-[2-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;trihydrochloride
CID 90664779
2-[[1-[3-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;trihydrochloride
CID 90664907
6-chloro-N-[3-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]propyl]-1,2,3,4-tetrahydroacridin-9-amine;trihydrochloride
CID 90665154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-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?
The IUPAC name of 6-chloro-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 (CID 24882005) is 6-chloro-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.
What is the SMILES notation for 6-chloro-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?
The canonical SMILES for 6-chloro-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 is COc1cc2c(cc1OC)CC(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2.
What is the InChIKey of 6-chloro-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?
The InChIKey is POLUICWPCFPRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35).
What are the key properties of 6-chloro-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?
6-chloro-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 has a molecular weight of 534.14 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-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 is sourced from PubChem (CID 24882005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).