ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate

C15H16FNO4 — CID 63899076

IUPACethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
SMILESCCOC(=O)CC(=O)CN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C15H16FNO4/c1-2-21-15(20)8-12(18)9-17-13-5-4-11(16)7-10(13)3-6-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3
InChIKeyXLRHCLUNGVRSTM-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.63
Rot. Bonds5

About ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate

ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate (PubChem CID 63899076) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
PubChem CID63899076
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Nameethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
SMILESCCOC(=O)CC(=O)CN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C15H16FNO4/c1-2-21-15(20)8-12(18)9-17-13-5-4-11(16)7-10(13)3-6-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3
InChIKeyXLRHCLUNGVRSTM-UHFFFAOYSA-N
XLogP1.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate?
The IUPAC name of ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate (CID 63899076) is ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate.
What is the SMILES notation for ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate?
The canonical SMILES for ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate is CCOC(=O)CC(=O)CN1C(=O)CCc2cc(F)ccc21.
What is the InChIKey of ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate?
The InChIKey is XLRHCLUNGVRSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-2-21-15(20)8-12(18)9-17-13-5-4-11(16)7-10(13)3-6-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3.
What are the key properties of ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate?
ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate has a molecular weight of 293.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate is sourced from PubChem (CID 63899076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).