prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate

C20H16FNO4 — CID 54731946

IUPACprop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESC=CCOC(=O)c1c(O)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H16FNO4/c1-2-11-26-20(25)17-18(23)15-5-3-4-6-16(15)22(19(17)24)12-13-7-9-14(21)10-8-13/h2-10,23H,1,11-12H2
InChIKeyVMYAIWXFRQICOQ-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.24
Rot. Bonds5

About prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate

prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate (PubChem CID 54731946) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate
PubChem CID54731946
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Nameprop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESC=CCOC(=O)c1c(O)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H16FNO4/c1-2-11-26-20(25)17-18(23)15-5-3-4-6-16(15)22(19(17)24)12-13-7-9-14(21)10-8-13/h2-10,23H,1,11-12H2
InChIKeyVMYAIWXFRQICOQ-UHFFFAOYSA-N
XLogP3.24
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate?
The IUPAC name of prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate (CID 54731946) is prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate?
The canonical SMILES for prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate is C=CCOC(=O)c1c(O)c2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate?
The InChIKey is VMYAIWXFRQICOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-2-11-26-20(25)17-18(23)15-5-3-4-6-16(15)22(19(17)24)12-13-7-9-14(21)10-8-13/h2-10,23H,1,11-12H2.
What are the key properties of prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate?
prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 54731946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).