N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine

C22H30N6 — CID 24830159

IUPACN'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine
SMILESCN(Cc1nc2ccccn2c1CNCCCN)C1CCCc2cccnc21
InChIInChI=1S/C22H30N6/c1-27(19-9-4-7-17-8-5-13-25-22(17)19)16-18-20(15-24-12-6-11-23)28-14-3-2-10-21(28)26-18/h2-3,5,8,10,13-14,19,24H,4,6-7,9,11-12,15-16,23H2,1H3
InChIKeyMSNMFZDKUGPCBP-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.68
Rot. Bonds8

About N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine

N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine (PubChem CID 24830159) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine
PubChem CID24830159
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC NameN'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine
SMILESCN(Cc1nc2ccccn2c1CNCCCN)C1CCCc2cccnc21
InChIInChI=1S/C22H30N6/c1-27(19-9-4-7-17-8-5-13-25-22(17)19)16-18-20(15-24-12-6-11-23)28-14-3-2-10-21(28)26-18/h2-3,5,8,10,13-14,19,24H,4,6-7,9,11-12,15-16,23H2,1H3
InChIKeyMSNMFZDKUGPCBP-UHFFFAOYSA-N
XLogP2.68
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
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 N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine (CID 24830159) is N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine is CN(Cc1nc2ccccn2c1CNCCCN)C1CCCc2cccnc21.
What is the InChIKey of N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine?
The InChIKey is MSNMFZDKUGPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-27(19-9-4-7-17-8-5-13-25-22(17)19)16-18-20(15-24-12-6-11-23)28-14-3-2-10-21(28)26-18/h2-3,5,8,10,13-14,19,24H,4,6-7,9,11-12,15-16,23H2,1H3.
What are the key properties of N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine?
N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine has a molecular weight of 378.52 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 24830159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).