2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide

C15H19N3O3 — CID 135137766

IUPAC2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide
SMILESCCCn1c(=O)c(OCC(=O)NC)cc2cc(N)ccc21
InChIInChI=1S/C15H19N3O3/c1-3-6-18-12-5-4-11(16)7-10(12)8-13(15(18)20)21-9-14(19)17-2/h4-5,7-8H,3,6,9,16H2,1-2H3,(H,17,19)
InChIKeyVRFNDYBQPKINMH-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.12
Rot. Bonds5

About 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide

2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide (PubChem CID 135137766) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide
PubChem CID135137766
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide
SMILESCCCn1c(=O)c(OCC(=O)NC)cc2cc(N)ccc21
InChIInChI=1S/C15H19N3O3/c1-3-6-18-12-5-4-11(16)7-10(12)8-13(15(18)20)21-9-14(19)17-2/h4-5,7-8H,3,6,9,16H2,1-2H3,(H,17,19)
InChIKeyVRFNDYBQPKINMH-UHFFFAOYSA-N
XLogP1.12
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide (CID 135137766) is 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide is CCCn1c(=O)c(OCC(=O)NC)cc2cc(N)ccc21.
What is the InChIKey of 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide?
The InChIKey is VRFNDYBQPKINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-6-18-12-5-4-11(16)7-10(12)8-13(15(18)20)21-9-14(19)17-2/h4-5,7-8H,3,6,9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide?
2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide has a molecular weight of 289.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-oxo-1-propylquinolin-3-yl)oxy-N-methylacetamide is sourced from PubChem (CID 135137766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).