2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride

C19H36Cl5N5O — CID 66575698

IUPAC2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.NCCCNCCCNCCCNCc1ccc2cccc(O)c2n1
InChIInChI=1S/C19H31N5O.5ClH/c20-9-2-10-21-11-3-12-22-13-4-14-23-15-17-8-7-16-5-1-6-18(25)19(16)24-17;;;;;/h1,5-8,21-23,25H,2-4,9-15,20H2;5*1H
InChIKeyKEJMIVKBDGMCEB-UHFFFAOYSA-N
MW527.80 g/mol
LogP3.45
Rot. Bonds13

About 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride

2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride (PubChem CID 66575698) has the molecular formula C19H36Cl5N5O and a molecular weight of 527.80 g/mol. Its IUPAC name is 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride.

Molecular Properties

Compound Name2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride
PubChem CID66575698
Molecular FormulaC19H36Cl5N5O
Molecular Weight527.80 g/mol
Exact Mass525.14
IUPAC Name2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.NCCCNCCCNCCCNCc1ccc2cccc(O)c2n1
InChIInChI=1S/C19H31N5O.5ClH/c20-9-2-10-21-11-3-12-22-13-4-14-23-15-17-8-7-16-5-1-6-18(25)19(16)24-17;;;;;/h1,5-8,21-23,25H,2-4,9-15,20H2;5*1H
InChIKeyKEJMIVKBDGMCEB-UHFFFAOYSA-N
XLogP3.45
TPSA95.23 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.80
LogP ≤ 53.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride?
The IUPAC name of 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride (CID 66575698) is 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride.
What is the SMILES notation for 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride?
The canonical SMILES for 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride is Cl.Cl.Cl.Cl.Cl.NCCCNCCCNCCCNCc1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride?
The InChIKey is KEJMIVKBDGMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O.5ClH/c20-9-2-10-21-11-3-12-22-13-4-14-23-15-17-8-7-16-5-1-6-18(25)19(16)24-17;;;;;/h1,5-8,21-23,25H,2-4,9-15,20H2;5*1H.
What are the key properties of 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride?
2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride has a molecular weight of 527.80 g/mol, XLogP of 3.45, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride is sourced from PubChem (CID 66575698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).