ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate

C14H17NO4 — CID 12821880

IUPACethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17NO4/c1-3-18-14(17)9(2)19-11-5-6-12-10(8-11)4-7-13(16)15-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyHFUIGOFKSVEFSI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.90
Rot. Bonds4

About ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate

ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate (PubChem CID 12821880) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
PubChem CID12821880
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17NO4/c1-3-18-14(17)9(2)19-11-5-6-12-10(8-11)4-7-13(16)15-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyHFUIGOFKSVEFSI-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
CID 76915648
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 9487265
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
6-(3-amino-1-hydroxy-4,4-dimethylpentan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 114357832
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate
CID 161287321
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate?
The IUPAC name of ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate (CID 12821880) is ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate.
What is the SMILES notation for ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate?
The canonical SMILES for ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate is CCOC(=O)C(C)Oc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate?
The InChIKey is HFUIGOFKSVEFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-18-14(17)9(2)19-11-5-6-12-10(8-11)4-7-13(16)15-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate?
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate has a molecular weight of 263.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate is sourced from PubChem (CID 12821880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).