2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride

C21H30Cl2N4O — CID 119896545

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride
SMILESCN(C)c1cc(CNC(=O)CC2CC3CCC(C2)N3)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C21H28N4O.2ClH/c1-25(2)20-12-15(18-5-3-4-6-19(18)24-20)13-22-21(26)11-14-9-16-7-8-17(10-14)23-16;;/h3-6,12,14,16-17,23H,7-11,13H2,1-2H3,(H,22,26);2*1H
InChIKeyKUUSEVJUOVDJMF-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.68
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride (PubChem CID 119896545) has the molecular formula C21H30Cl2N4O and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride
PubChem CID119896545
Molecular FormulaC21H30Cl2N4O
Molecular Weight425.40 g/mol
Exact Mass424.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride
SMILESCN(C)c1cc(CNC(=O)CC2CC3CCC(C2)N3)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C21H28N4O.2ClH/c1-25(2)20-12-15(18-5-3-4-6-19(18)24-20)13-22-21(26)11-14-9-16-7-8-17(10-14)23-16;;/h3-6,12,14,16-17,23H,7-11,13H2,1-2H3,(H,22,26);2*1H
InChIKeyKUUSEVJUOVDJMF-UHFFFAOYSA-N
XLogP3.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 119850358
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 119715914
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718343
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119756338
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 71989359
1-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004545
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734227

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride (CID 119896545) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride is CN(C)c1cc(CNC(=O)CC2CC3CCC(C2)N3)c2ccccc2n1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride?
The InChIKey is KUUSEVJUOVDJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.2ClH/c1-25(2)20-12-15(18-5-3-4-6-19(18)24-20)13-22-21(26)11-14-9-16-7-8-17(10-14)23-16;;/h3-6,12,14,16-17,23H,7-11,13H2,1-2H3,(H,22,26);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride has a molecular weight of 425.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119896545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).