ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate

C18H14FNO3 — CID 3022163

IUPACethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-9-8-12(19)10-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyLKHRNCAHJFLSGT-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.51
Rot. Bonds3

About ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate

ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate (PubChem CID 3022163) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
PubChem CID3022163
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Nameethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-9-8-12(19)10-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyLKHRNCAHJFLSGT-UHFFFAOYSA-N
XLogP3.51
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate (CID 3022163) is ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The InChIKey is LKHRNCAHJFLSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-9-8-12(19)10-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 3022163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).