N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride

C18H26Cl3N3O2 — CID 119657984

IUPACN-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)COc1ccc(Cl)c2cccnc12.Cl.Cl
InChIInChI=1S/C18H24ClN3O2.2ClH/c1-12(2)15(20)8-10-22(3)17(23)11-24-16-7-6-14(19)13-5-4-9-21-18(13)16;;/h4-7,9,12,15H,8,10-11,20H2,1-3H3;2*1H
InChIKeyGBAFEBPLYLMLOV-UHFFFAOYSA-N
MW422.78 g/mol
LogP3.94
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride

N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride (PubChem CID 119657984) has the molecular formula C18H26Cl3N3O2 and a molecular weight of 422.78 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
PubChem CID119657984
Molecular FormulaC18H26Cl3N3O2
Molecular Weight422.78 g/mol
Exact Mass421.11
IUPAC NameN-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)COc1ccc(Cl)c2cccnc12.Cl.Cl
InChIInChI=1S/C18H24ClN3O2.2ClH/c1-12(2)15(20)8-10-22(3)17(23)11-24-16-7-6-14(19)13-5-4-9-21-18(13)16;;/h4-7,9,12,15H,8,10-11,20H2,1-3H3;2*1H
InChIKeyGBAFEBPLYLMLOV-UHFFFAOYSA-N
XLogP3.94
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 43243799
N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55824024
3-[[2-(5-chloroquinolin-8-yl)oxyacetyl]-ethylamino]propanoic acid
CID 120516814
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 51190547
2-methylhexyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 140972569
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride (CID 119657984) is N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride is CC(C)C(N)CCN(C)C(=O)COc1ccc(Cl)c2cccnc12.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride?
The InChIKey is GBAFEBPLYLMLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2.2ClH/c1-12(2)15(20)8-10-22(3)17(23)11-24-16-7-6-14(19)13-5-4-9-21-18(13)16;;/h4-7,9,12,15H,8,10-11,20H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride has a molecular weight of 422.78 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride is sourced from PubChem (CID 119657984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).