8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid

C19H14FNO3 — CID 54587509

IUPAC8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C/C=C/c2ccccc2)c2c(F)cccc2c1=O
InChIInChI=1S/C19H14FNO3/c20-16-10-4-9-14-17(16)21(12-15(18(14)22)19(23)24)11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)/b8-5+
InChIKeyBCZIZAYHGCHFBR-VMPITWQZSA-N
MW323.32 g/mol
LogP3.55
Rot. Bonds4

About 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid

8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid (PubChem CID 54587509) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid
PubChem CID54587509
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C/C=C/c2ccccc2)c2c(F)cccc2c1=O
InChIInChI=1S/C19H14FNO3/c20-16-10-4-9-14-17(16)21(12-15(18(14)22)19(23)24)11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)/b8-5+
InChIKeyBCZIZAYHGCHFBR-VMPITWQZSA-N
XLogP3.55
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid (CID 54587509) is 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid is O=C(O)c1cn(C/C=C/c2ccccc2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid?
The InChIKey is BCZIZAYHGCHFBR-VMPITWQZSA-N. The full InChI is InChI=1S/C19H14FNO3/c20-16-10-4-9-14-17(16)21(12-15(18(14)22)19(23)24)11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)/b8-5+.
What are the key properties of 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid?
8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid has a molecular weight of 323.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-1-[(E)-3-phenylprop-2-enyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 54587509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).