ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate

C15H19NO4 — CID 12821844

IUPACethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate
SMILESCCOC(=O)CCCOc1cccc2c1CCC(=O)N2
InChIInChI=1S/C15H19NO4/c1-2-19-15(18)7-4-10-20-13-6-3-5-12-11(13)8-9-14(17)16-12/h3,5-6H,2,4,7-10H2,1H3,(H,16,17)
InChIKeyJAQRBXZYBPDYJA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.29
Rot. Bonds6

About ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate

ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate (PubChem CID 12821844) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate
PubChem CID12821844
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate
SMILESCCOC(=O)CCCOc1cccc2c1CCC(=O)N2
InChIInChI=1S/C15H19NO4/c1-2-19-15(18)7-4-10-20-13-6-3-5-12-11(13)8-9-14(17)16-12/h3,5-6H,2,4,7-10H2,1H3,(H,16,17)
InChIKeyJAQRBXZYBPDYJA-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate?
The IUPAC name of ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate (CID 12821844) is ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate.
What is the SMILES notation for ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate?
The canonical SMILES for ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate is CCOC(=O)CCCOc1cccc2c1CCC(=O)N2.
What is the InChIKey of ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate?
The InChIKey is JAQRBXZYBPDYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-15(18)7-4-10-20-13-6-3-5-12-11(13)8-9-14(17)16-12/h3,5-6H,2,4,7-10H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate?
ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate has a molecular weight of 277.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate is sourced from PubChem (CID 12821844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).