ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate

C18H14FNO3 — CID 14780580

IUPACethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)16-15(11-7-9-12(19)10-8-11)13-5-3-4-6-14(13)20-17(16)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeySGZJHASWBLAEKI-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.51
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 14780580) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate
PubChem CID14780580
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Nameethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)16-15(11-7-9-12(19)10-8-11)13-5-3-4-6-14(13)20-17(16)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeySGZJHASWBLAEKI-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 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate (CID 14780580) is ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is SGZJHASWBLAEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-2-23-18(22)16-15(11-7-9-12(19)10-8-11)13-5-3-4-6-14(13)20-17(16)21/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-oxo-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 4-(4-fluorophenyl)-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 14780580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).