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

C30H38Cl2N4O — CID 46854879

IUPAC7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride
SMILESCl.Cl.Oc1c(CNCCCCCCCNc2c3c(nc4ccccc24)CCCC3)ccc2cccnc12
InChIInChI=1S/C30H36N4O.2ClH/c35-30-23(17-16-22-11-10-20-32-28(22)30)21-31-18-8-2-1-3-9-19-33-29-24-12-4-6-14-26(24)34-27-15-7-5-13-25(27)29;;/h4,6,10-12,14,16-17,20,31,35H,1-3,5,7-9,13,15,18-19,21H2,(H,33,34);2*1H
InChIKeyBFYJNNXPQYVBNL-UHFFFAOYSA-N
MW541.57 g/mol
LogP7.36
Rot. Bonds11

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

7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride (PubChem CID 46854879) has the molecular formula C30H38Cl2N4O and a molecular weight of 541.57 g/mol. Its IUPAC name is 7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride.

Molecular Properties

Compound Name7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride
PubChem CID46854879
Molecular FormulaC30H38Cl2N4O
Molecular Weight541.57 g/mol
Exact Mass540.24
IUPAC Name7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride
SMILESCl.Cl.Oc1c(CNCCCCCCCNc2c3c(nc4ccccc24)CCCC3)ccc2cccnc12
InChIInChI=1S/C30H36N4O.2ClH/c35-30-23(17-16-22-11-10-20-32-28(22)30)21-31-18-8-2-1-3-9-19-33-29-24-12-4-6-14-26(24)34-27-15-7-5-13-25(27)29;;/h4,6,10-12,14,16-17,20,31,35H,1-3,5,7-9,13,15,18-19,21H2,(H,33,34);2*1H
InChIKeyBFYJNNXPQYVBNL-UHFFFAOYSA-N
XLogP7.36
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.57
LogP ≤ 57.36
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-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride?
The IUPAC name of 7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride (CID 46854879) is 7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride.
What is the SMILES notation for 7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride?
The canonical SMILES for 7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride is Cl.Cl.Oc1c(CNCCCCCCCNc2c3c(nc4ccccc24)CCCC3)ccc2cccnc12.
What is the InChIKey of 7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride?
The InChIKey is BFYJNNXPQYVBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O.2ClH/c35-30-23(17-16-22-11-10-20-32-28(22)30)21-31-18-8-2-1-3-9-19-33-29-24-12-4-6-14-26(24)34-27-15-7-5-13-25(27)29;;/h4,6,10-12,14,16-17,20,31,35H,1-3,5,7-9,13,15,18-19,21H2,(H,33,34);2*1H.
What are the key properties of 7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride?
7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride has a molecular weight of 541.57 g/mol, XLogP of 7.36, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride is sourced from PubChem (CID 46854879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).