2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide

C15H19N3O2 — CID 116524797

IUPAC2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(N)c2ncccc12
InChIInChI=1S/C15H19N3O2/c1-3-10(2)18-14(19)9-20-13-7-6-12(16)15-11(13)5-4-8-17-15/h4-8,10H,3,9,16H2,1-2H3,(H,18,19)
InChIKeyBFGOCKJBIRVEIS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.11
Rot. Bonds5

About 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide

2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide (PubChem CID 116524797) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide
PubChem CID116524797
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(N)c2ncccc12
InChIInChI=1S/C15H19N3O2/c1-3-10(2)18-14(19)9-20-13-7-6-12(16)15-11(13)5-4-8-17-15/h4-8,10H,3,9,16H2,1-2H3,(H,18,19)
InChIKeyBFGOCKJBIRVEIS-UHFFFAOYSA-N
XLogP2.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide
CID 61489515
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943
2-(8-aminoquinolin-5-yl)oxy-N-ethyl-N-methylacetamide
CID 116524643
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
4-amino-3-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43379904
2-(8-aminoquinolin-5-yl)oxy-N-propylpropanamide
CID 116524725
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 62099667
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide?
The IUPAC name of 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide (CID 116524797) is 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide?
The canonical SMILES for 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1ccc(N)c2ncccc12.
What is the InChIKey of 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide?
The InChIKey is BFGOCKJBIRVEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-10(2)18-14(19)9-20-13-7-6-12(16)15-11(13)5-4-8-17-15/h4-8,10H,3,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide?
2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide has a molecular weight of 273.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-5-yl)oxy-N-butan-2-ylacetamide is sourced from PubChem (CID 116524797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).