ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate

C19H15F2NO4 — CID 58252079

IUPACethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1c(O)c(Cc2ccc(F)cc2)c2ccc(F)cn2c1=O
InChIInChI=1S/C19H15F2NO4/c1-2-26-19(25)16-17(23)14(9-11-3-5-12(20)6-4-11)15-8-7-13(21)10-22(15)18(16)24/h3-8,10,23H,2,9H2,1H3
InChIKeyWHMFBONKILVPMP-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.05
Rot. Bonds4

About ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate

ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate (PubChem CID 58252079) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate
PubChem CID58252079
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Nameethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1c(O)c(Cc2ccc(F)cc2)c2ccc(F)cn2c1=O
InChIInChI=1S/C19H15F2NO4/c1-2-26-19(25)16-17(23)14(9-11-3-5-12(20)6-4-11)15-8-7-13(21)10-22(15)18(16)24/h3-8,10,23H,2,9H2,1H3
InChIKeyWHMFBONKILVPMP-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate (CID 58252079) is ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1c(O)c(Cc2ccc(F)cc2)c2ccc(F)cn2c1=O.
What is the InChIKey of ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate?
The InChIKey is WHMFBONKILVPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-2-26-19(25)16-17(23)14(9-11-3-5-12(20)6-4-11)15-8-7-13(21)10-22(15)18(16)24/h3-8,10,23H,2,9H2,1H3.
What are the key properties of ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate?
ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate has a molecular weight of 359.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 58252079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).