N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide

C15H17ClN2O2 — CID 47104754

IUPACN-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
SMILESCCC(C)NC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O2/c1-3-10(2)18-14(19)9-20-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,10H,3,9H2,1-2H3,(H,18,19)
InChIKeyAYHMZFWWBMYFML-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.18
Rot. Bonds5

About N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide

N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide (PubChem CID 47104754) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
PubChem CID47104754
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
SMILESCCC(C)NC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2O2/c1-3-10(2)18-14(19)9-20-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,10H,3,9H2,1-2H3,(H,18,19)
InChIKeyAYHMZFWWBMYFML-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
CID 119363599
2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8716298
2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide
CID 116524797
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide?
The IUPAC name of N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide (CID 47104754) is N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide is CCC(C)NC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide?
The InChIKey is AYHMZFWWBMYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-10(2)18-14(19)9-20-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,10H,3,9H2,1-2H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide?
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide has a molecular weight of 292.77 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 47104754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).