7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride

C25H37Cl3N4O — CID 175783539

IUPAC7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
SMILESCNCCCC(CCCNc1cc(-c2ccc(OC)cc2)nc2ccccc12)NC.Cl.Cl.Cl
InChIInChI=1S/C25H34N4O.3ClH/c1-26-16-6-8-20(27-2)9-7-17-28-25-18-24(19-12-14-21(30-3)15-13-19)29-23-11-5-4-10-22(23)25;;;/h4-5,10-15,18,20,26-27H,6-9,16-17H2,1-3H3,(H,28,29);3*1H
InChIKeyUOJMXGTWCNCOBZ-UHFFFAOYSA-N
MW515.96 g/mol
LogP5.96
Rot. Bonds12

About 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride

7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride (PubChem CID 175783539) has the molecular formula C25H37Cl3N4O and a molecular weight of 515.96 g/mol. Its IUPAC name is 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride.

Molecular Properties

Compound Name7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
PubChem CID175783539
Molecular FormulaC25H37Cl3N4O
Molecular Weight515.96 g/mol
Exact Mass514.20
IUPAC Name7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
SMILESCNCCCC(CCCNc1cc(-c2ccc(OC)cc2)nc2ccccc12)NC.Cl.Cl.Cl
InChIInChI=1S/C25H34N4O.3ClH/c1-26-16-6-8-20(27-2)9-7-17-28-25-18-24(19-12-14-21(30-3)15-13-19)29-23-11-5-4-10-22(23)25;;;/h4-5,10-15,18,20,26-27H,6-9,16-17H2,1-3H3,(H,28,29);3*1H
InChIKeyUOJMXGTWCNCOBZ-UHFFFAOYSA-N
XLogP5.96
TPSA58.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.96
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride with MolForge

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Related Compounds

N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide
CID 175783587
2-[[7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]amino]ethanol;hydrochloride
CID 18433040
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
CID 45051431
4-(azetidin-3-yl)-3-N-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 172815889
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
N-ethyl-7-methoxy-2-phenylquinolin-4-amine
CID 144979819
N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
CID 156642138
bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
CID 157354468
2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
CID 18432992
3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 90459061
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride?
The IUPAC name of 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride (CID 175783539) is 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride.
What is the SMILES notation for 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride?
The canonical SMILES for 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride is CNCCCC(CCCNc1cc(-c2ccc(OC)cc2)nc2ccccc12)NC.Cl.Cl.Cl.
What is the InChIKey of 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride?
The InChIKey is UOJMXGTWCNCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O.3ClH/c1-26-16-6-8-20(27-2)9-7-17-28-25-18-24(19-12-14-21(30-3)15-13-19)29-23-11-5-4-10-22(23)25;;;/h4-5,10-15,18,20,26-27H,6-9,16-17H2,1-3H3,(H,28,29);3*1H.
What are the key properties of 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride?
7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride has a molecular weight of 515.96 g/mol, XLogP of 5.96, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride is sourced from PubChem (CID 175783539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).