N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine

C27H32N4O — CID 11407724

IUPACN-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
SMILESCOc1ccc2nc(C)cc(NCCCCCNc3cc(C)nc4ccc(C)cc34)c2c1
InChIInChI=1S/C27H32N4O/c1-18-8-10-24-22(14-18)26(15-19(2)30-24)28-12-6-5-7-13-29-27-16-20(3)31-25-11-9-21(32-4)17-23(25)27/h8-11,14-17H,5-7,12-13H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyMSPVAUHVMJANND-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.41
Rot. Bonds9

About N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine

N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine (PubChem CID 11407724) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
PubChem CID11407724
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
SMILESCOc1ccc2nc(C)cc(NCCCCCNc3cc(C)nc4ccc(C)cc34)c2c1
InChIInChI=1S/C27H32N4O/c1-18-8-10-24-22(14-18)26(15-19(2)30-24)28-12-6-5-7-13-29-27-16-20(3)31-25-11-9-21(32-4)17-23(25)27/h8-11,14-17H,5-7,12-13H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyMSPVAUHVMJANND-UHFFFAOYSA-N
XLogP6.41
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methylquinolin-4-amine
CID 110432981
N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
CID 3132199
N-ethyl-2,6-dimethylquinolin-4-amine
CID 62201642
4-methoxy-N-[2-[(6-methoxy-2-methylquinolin-4-yl)amino]ethyl]-N-[3-[(6-methoxy-2-methylquinolin-4-yl)amino]propyl]benzenesulfonamide
CID 58807114
N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine
CID 71210633
N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 126476329
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
4-(hexylamino)-2-methylquinolin-6-ol
CID 22417914
2-tert-butyl-6-methoxy-N-propylquinolin-4-amine
CID 63481474
N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 169487817
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 3141487
6-[(6-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434438

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine?
The IUPAC name of N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine (CID 11407724) is N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine.
What is the SMILES notation for N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine?
The canonical SMILES for N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine is COc1ccc2nc(C)cc(NCCCCCNc3cc(C)nc4ccc(C)cc34)c2c1.
What is the InChIKey of N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine?
The InChIKey is MSPVAUHVMJANND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-18-8-10-24-22(14-18)26(15-19(2)30-24)28-12-6-5-7-13-29-27-16-20(3)31-25-11-9-21(32-4)17-23(25)27/h8-11,14-17H,5-7,12-13H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine?
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine has a molecular weight of 428.58 g/mol, XLogP of 6.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine is sourced from PubChem (CID 11407724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).