ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate

C18H14FNO3 — CID 155209389

IUPACethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)12-6-7-15-14(9-12)17(21)10-16(20-15)11-4-3-5-13(19)8-11/h3-10H,2H2,1H3,(H,20,21)
InChIKeyYLMDUYMZGLLJEV-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.51
Rot. Bonds3

About ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate

ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 155209389) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate
PubChem CID155209389
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Nameethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)12-6-7-15-14(9-12)17(21)10-16(20-15)11-4-3-5-13(19)8-11/h3-10H,2H2,1H3,(H,20,21)
InChIKeyYLMDUYMZGLLJEV-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 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate (CID 155209389) is ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1.
What is the InChIKey of ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is YLMDUYMZGLLJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-2-23-18(22)12-6-7-15-14(9-12)17(21)10-16(20-15)11-4-3-5-13(19)8-11/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate?
ethyl 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-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 2-(3-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 155209389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).