7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride

C29H36Cl2N4O — CID 46854737

IUPAC7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride
SMILESCl.Cl.Oc1c(CNCCCCCCNc2c3c(nc4ccccc24)CCCC3)ccc2cccnc12
InChIInChI=1S/C29H34N4O.2ClH/c34-29-22(16-15-21-10-9-19-31-27(21)29)20-30-17-7-1-2-8-18-32-28-23-11-3-5-13-25(23)33-26-14-6-4-12-24(26)28;;/h3,5,9-11,13,15-16,19,30,34H,1-2,4,6-8,12,14,17-18,20H2,(H,32,33);2*1H
InChIKeyRKHQYBNBWKRTJA-UHFFFAOYSA-N
MW527.54 g/mol
LogP6.97
Rot. Bonds10

About 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride

7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride (PubChem CID 46854737) has the molecular formula C29H36Cl2N4O and a molecular weight of 527.54 g/mol. Its IUPAC name is 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride.

Molecular Properties

Compound Name7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride
PubChem CID46854737
Molecular FormulaC29H36Cl2N4O
Molecular Weight527.54 g/mol
Exact Mass526.23
IUPAC Name7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride
SMILESCl.Cl.Oc1c(CNCCCCCCNc2c3c(nc4ccccc24)CCCC3)ccc2cccnc12
InChIInChI=1S/C29H34N4O.2ClH/c34-29-22(16-15-21-10-9-19-31-27(21)29)20-30-17-7-1-2-8-18-32-28-23-11-3-5-13-25(23)33-26-14-6-4-12-24(26)28;;/h3,5,9-11,13,15-16,19,30,34H,1-2,4,6-8,12,14,17-18,20H2,(H,32,33);2*1H
InChIKeyRKHQYBNBWKRTJA-UHFFFAOYSA-N
XLogP6.97
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.54
LogP ≤ 56.97
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride?
The IUPAC name of 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride (CID 46854737) is 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride.
What is the SMILES notation for 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride?
The canonical SMILES for 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride is Cl.Cl.Oc1c(CNCCCCCCNc2c3c(nc4ccccc24)CCCC3)ccc2cccnc12.
What is the InChIKey of 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride?
The InChIKey is RKHQYBNBWKRTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O.2ClH/c34-29-22(16-15-21-10-9-19-31-27(21)29)20-30-17-7-1-2-8-18-32-28-23-11-3-5-13-25(23)33-26-14-6-4-12-24(26)28;;/h3,5,9-11,13,15-16,19,30,34H,1-2,4,6-8,12,14,17-18,20H2,(H,32,33);2*1H.
What are the key properties of 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride?
7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride has a molecular weight of 527.54 g/mol, XLogP of 6.97, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride is sourced from PubChem (CID 46854737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).