N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine

C26H35ClN6 — CID 75276096

IUPACN-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCCN(Cc1nc2cccc(N3CCCN(C)CC3)n2c1Cl)C1CCCc2cccnc21
InChIInChI=1S/C26H35ClN6/c1-3-14-32(22-10-4-8-20-9-6-13-28-25(20)22)19-21-26(27)33-23(29-21)11-5-12-24(33)31-16-7-15-30(2)17-18-31/h5-6,9,11-13,22H,3-4,7-8,10,14-19H2,1-2H3
InChIKeyXCQJEEBKLYKPGX-UHFFFAOYSA-N
MW467.06 g/mol
LogP4.81
Rot. Bonds6

About N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine

N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 75276096) has the molecular formula C26H35ClN6 and a molecular weight of 467.06 g/mol. Its IUPAC name is N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID75276096
Molecular FormulaC26H35ClN6
Molecular Weight467.06 g/mol
Exact Mass466.26
IUPAC NameN-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCCN(Cc1nc2cccc(N3CCCN(C)CC3)n2c1Cl)C1CCCc2cccnc21
InChIInChI=1S/C26H35ClN6/c1-3-14-32(22-10-4-8-20-9-6-13-28-25(20)22)19-21-26(27)33-23(29-21)11-5-12-24(33)31-16-7-15-30(2)17-18-31/h5-6,9,11-13,22H,3-4,7-8,10,14-19H2,1-2H3
InChIKeyXCQJEEBKLYKPGX-UHFFFAOYSA-N
XLogP4.81
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.06
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-[[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276084
N-[[3-chloro-5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276085
(8S)-N-[(2-methoxyphenyl)methyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11591360
(8S)-N-[2-[3-(aminomethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 68974371
(8S)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11627977
N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853583
5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120904816
2-[[ethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(4-methylpiperazin-1-yl)-9H-imidazo[1,2-a]azepine-3-carbonitrile
CID 143518539
[1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium
CID 143196505
(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11675794
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N'-[(3-chloro-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 75276096) is N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine is CCCN(Cc1nc2cccc(N3CCCN(C)CC3)n2c1Cl)C1CCCc2cccnc21.
What is the InChIKey of N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is XCQJEEBKLYKPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6/c1-3-14-32(22-10-4-8-20-9-6-13-28-25(20)22)19-21-26(27)33-23(29-21)11-5-12-24(33)31-16-7-15-30(2)17-18-31/h5-6,9,11-13,22H,3-4,7-8,10,14-19H2,1-2H3.
What are the key properties of N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 467.06 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 75276096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).