N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide

C17H20ClN3O2 — CID 119601328

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
SMILESNCC1CCCC1NC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H20ClN3O2/c18-13-6-7-15(17-12(13)4-2-8-20-17)23-10-16(22)21-14-5-1-3-11(14)9-19/h2,4,6-8,11,14H,1,3,5,9-10,19H2,(H,21,22)
InChIKeyLQOWIBZWUUETCU-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide

N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide (PubChem CID 119601328) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
PubChem CID119601328
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
SMILESNCC1CCCC1NC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H20ClN3O2/c18-13-6-7-15(17-12(13)4-2-8-20-17)23-10-16(22)21-14-5-1-3-11(14)9-19/h2,4,6-8,11,14H,1,3,5,9-10,19H2,(H,21,22)
InChIKeyLQOWIBZWUUETCU-UHFFFAOYSA-N
XLogP2.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8716448
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dichlorophenoxy)acetamide;hydrochloride
CID 119600602
2-(5-chloroquinolin-8-yl)oxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55525311
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 97016809
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylphenoxy)acetamide
CID 119605033
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide (CID 119601328) is N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide is NCC1CCCC1NC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide?
The InChIKey is LQOWIBZWUUETCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-13-6-7-15(17-12(13)4-2-8-20-17)23-10-16(22)21-14-5-1-3-11(14)9-19/h2,4,6-8,11,14H,1,3,5,9-10,19H2,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide has a molecular weight of 333.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 119601328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).