ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate

C15H16FNO3 — CID 59822475

IUPACethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(F)cccc2n(C(C)C)c1=O
InChIInChI=1S/C15H16FNO3/c1-4-20-15(19)11-8-10-12(16)6-5-7-13(10)17(9(2)3)14(11)18/h5-9H,4H2,1-3H3
InChIKeyOXFLHHAURHRPJM-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.90
Rot. Bonds3

About ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate

ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate (PubChem CID 59822475) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate
PubChem CID59822475
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Nameethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(F)cccc2n(C(C)C)c1=O
InChIInChI=1S/C15H16FNO3/c1-4-20-15(19)11-8-10-12(16)6-5-7-13(10)17(9(2)3)14(11)18/h5-9H,4H2,1-3H3
InChIKeyOXFLHHAURHRPJM-UHFFFAOYSA-N
XLogP2.90
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate (CID 59822475) is ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate is CCOC(=O)c1cc2c(F)cccc2n(C(C)C)c1=O.
What is the InChIKey of ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate?
The InChIKey is OXFLHHAURHRPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-4-20-15(19)11-8-10-12(16)6-5-7-13(10)17(9(2)3)14(11)18/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate?
ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-oxo-1-propan-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 59822475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).