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

C32H41Cl4N3O3 — CID 90664779

IUPAC2-[[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
SMILESCOc1cc2c(cc1OC)C(=O)C(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2.Cl.Cl.Cl
InChIInChI=1S/C32H38ClN3O3.3ClH/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31;;;/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35);3*1H
InChIKeySVIRGKXMHJJYBZ-UHFFFAOYSA-N
MW657.51 g/mol
LogP7.62
Rot. Bonds8

About 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

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 (PubChem CID 90664779) has the molecular formula C32H41Cl4N3O3 and a molecular weight of 657.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID90664779
Molecular FormulaC32H41Cl4N3O3
Molecular Weight657.51 g/mol
Exact Mass655.19
IUPAC Name2-[[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
SMILESCOc1cc2c(cc1OC)C(=O)C(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2.Cl.Cl.Cl
InChIInChI=1S/C32H38ClN3O3.3ClH/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31;;;/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35);3*1H
InChIKeySVIRGKXMHJJYBZ-UHFFFAOYSA-N
XLogP7.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.51
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(cc1OC)C(=O)C(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2.Cl.Cl.Cl.
What is the InChIKey of 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?
The InChIKey is SVIRGKXMHJJYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O3.3ClH/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31;;;/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35);3*1H.
What are the key properties of 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?
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 has a molecular weight of 657.51 g/mol, XLogP of 7.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90664779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).