5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride

C31H40Cl4N4O — CID 90665171

IUPAC5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride
SMILESCl.Cl.Cl.Oc1c(CNCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12
InChIInChI=1S/C31H37ClN4O.3ClH/c32-26-20-22(31(37)30-23(26)14-11-19-35-30)21-33-17-9-3-1-2-4-10-18-34-29-24-12-5-7-15-27(24)36-28-16-8-6-13-25(28)29;;;/h5,7,11-12,14-15,19-20,33,37H,1-4,6,8-10,13,16-18,21H2,(H,34,36);3*1H
InChIKeyUHHPMEYJQOHAQE-UHFFFAOYSA-N
MW626.50 g/mol
LogP8.83
Rot. Bonds12

About 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride

5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride (PubChem CID 90665171) has the molecular formula C31H40Cl4N4O and a molecular weight of 626.50 g/mol. Its IUPAC name is 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride.

Molecular Properties

Compound Name5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride
PubChem CID90665171
Molecular FormulaC31H40Cl4N4O
Molecular Weight626.50 g/mol
Exact Mass624.20
IUPAC Name5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride
SMILESCl.Cl.Cl.Oc1c(CNCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12
InChIInChI=1S/C31H37ClN4O.3ClH/c32-26-20-22(31(37)30-23(26)14-11-19-35-30)21-33-17-9-3-1-2-4-10-18-34-29-24-12-5-7-15-27(24)36-28-16-8-6-13-25(28)29;;;/h5,7,11-12,14-15,19-20,33,37H,1-4,6,8-10,13,16-18,21H2,(H,34,36);3*1H
InChIKeyUHHPMEYJQOHAQE-UHFFFAOYSA-N
XLogP8.83
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.50
LogP ≤ 58.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride?
The IUPAC name of 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride (CID 90665171) is 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride.
What is the SMILES notation for 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride?
The canonical SMILES for 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride is Cl.Cl.Cl.Oc1c(CNCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride?
The InChIKey is UHHPMEYJQOHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN4O.3ClH/c32-26-20-22(31(37)30-23(26)14-11-19-35-30)21-33-17-9-3-1-2-4-10-18-34-29-24-12-5-7-15-27(24)36-28-16-8-6-13-25(28)29;;;/h5,7,11-12,14-15,19-20,33,37H,1-4,6,8-10,13,16-18,21H2,(H,34,36);3*1H.
What are the key properties of 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride?
5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride has a molecular weight of 626.50 g/mol, XLogP of 8.83, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride is sourced from PubChem (CID 90665171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).