N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

C21H25Cl2N5 — CID 59761359

IUPACN'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
SMILESNCCCCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C1CCCc2cccnc21
InChIInChI=1S/C21H25Cl2N5/c22-16-11-18(23)21-26-17(14-28(21)12-16)13-27(10-2-1-8-24)19-7-3-5-15-6-4-9-25-20(15)19/h4,6,9,11-12,14,19H,1-3,5,7-8,10,13,24H2
InChIKeyQATMNIAUJJCKKZ-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.65
Rot. Bonds7

About N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (PubChem CID 59761359) has the molecular formula C21H25Cl2N5 and a molecular weight of 418.37 g/mol. Its IUPAC name is N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
PubChem CID59761359
Molecular FormulaC21H25Cl2N5
Molecular Weight418.37 g/mol
Exact Mass417.15
IUPAC NameN'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
SMILESNCCCCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C1CCCc2cccnc21
InChIInChI=1S/C21H25Cl2N5/c22-16-11-18(23)21-26-17(14-28(21)12-16)13-27(10-2-1-8-24)19-7-3-5-15-6-4-9-25-20(15)19/h4,6,9,11-12,14,19H,1-3,5,7-8,10,13,24H2
InChIKeyQATMNIAUJJCKKZ-UHFFFAOYSA-N
XLogP4.65
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-chloro-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627
N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N'-(5,6,7,8-tetrahydroquinolin-3-ylmethyl)butane-1,4-diamine
CID 69493718
N'-[(5-methyl-1H-imidazol-4-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 58997023
4-[imidazo[1,2-a]pyridin-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butylcarbamic acid
CID 69229967
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
CID 68960977
N'-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 57343965
2-[3-[[4-aminobutyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide
CID 121284940
N'-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59694139
N'-[(5-deuterio-1H-benzimidazol-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 162702137
N'-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59176527
N'-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 72535467

Frequently Asked Questions

What is the IUPAC name of N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The IUPAC name of N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (CID 59761359) is N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine.
What is the SMILES notation for N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The canonical SMILES for N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine is NCCCCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C1CCCc2cccnc21.
What is the InChIKey of N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The InChIKey is QATMNIAUJJCKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5/c22-16-11-18(23)21-26-17(14-28(21)12-16)13-27(10-2-1-8-24)19-7-3-5-15-6-4-9-25-20(15)19/h4,6,9,11-12,14,19H,1-3,5,7-8,10,13,24H2.
What are the key properties of N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine has a molecular weight of 418.37 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine is sourced from PubChem (CID 59761359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).