N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride

C22H37Cl2N3O2 — CID 12618413

IUPACN-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride
SMILESCCN(CC)CCCCCCNc1cc(OC)c(OC)c2c(C)ccnc12.Cl.Cl
InChIInChI=1S/C22H35N3O2.2ClH/c1-6-25(7-2)15-11-9-8-10-13-23-18-16-19(26-4)22(27-5)20-17(3)12-14-24-21(18)20;;/h12,14,16,23H,6-11,13,15H2,1-5H3;2*1H
InChIKeySQXCJRWXYLROEQ-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.72
Rot. Bonds12

About N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride

N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride (PubChem CID 12618413) has the molecular formula C22H37Cl2N3O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride.

Molecular Properties

Compound NameN-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride
PubChem CID12618413
Molecular FormulaC22H37Cl2N3O2
Molecular Weight446.46 g/mol
Exact Mass445.23
IUPAC NameN-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride
SMILESCCN(CC)CCCCCCNc1cc(OC)c(OC)c2c(C)ccnc12.Cl.Cl
InChIInChI=1S/C22H35N3O2.2ClH/c1-6-25(7-2)15-11-9-8-10-13-23-18-16-19(26-4)22(27-5)20-17(3)12-14-24-21(18)20;;/h12,14,16,23H,6-11,13,15H2,1-5H3;2*1H
InChIKeySQXCJRWXYLROEQ-UHFFFAOYSA-N
XLogP5.72
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride?
The IUPAC name of N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride (CID 12618413) is N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride.
What is the SMILES notation for N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride?
The canonical SMILES for N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride is CCN(CC)CCCCCCNc1cc(OC)c(OC)c2c(C)ccnc12.Cl.Cl.
What is the InChIKey of N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride?
The InChIKey is SQXCJRWXYLROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.2ClH/c1-6-25(7-2)15-11-9-8-10-13-23-18-16-19(26-4)22(27-5)20-17(3)12-14-24-21(18)20;;/h12,14,16,23H,6-11,13,15H2,1-5H3;2*1H.
What are the key properties of N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride?
N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride has a molecular weight of 446.46 g/mol, XLogP of 5.72, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-4-methylquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;dihydrochloride is sourced from PubChem (CID 12618413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).