6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

C14H10FNO4 — CID 54732480

IUPAC6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESCCn1c(=O)c2c(O)cc(=O)oc2c2cc(F)ccc21
InChIInChI=1S/C14H10FNO4/c1-2-16-9-4-3-7(15)5-8(9)13-12(14(16)19)10(17)6-11(18)20-13/h3-6,17H,2H2,1H3
InChIKeyWWWRRSDMUFBLOZ-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.97
Rot. Bonds1

About 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54732480) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
PubChem CID54732480
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESCCn1c(=O)c2c(O)cc(=O)oc2c2cc(F)ccc21
InChIInChI=1S/C14H10FNO4/c1-2-16-9-4-3-7(15)5-8(9)13-12(14(16)19)10(17)6-11(18)20-13/h3-6,17H,2H2,1H3
InChIKeyWWWRRSDMUFBLOZ-UHFFFAOYSA-N
XLogP1.97
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
CID 54682929
4-Hydroxy-N-methylcarbostyril
CID 54686436
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-methoxy-N-methyl-2-quinolone
CID 182073
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
Ethyl 1-ethyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylate
CID 54680568
ethyl 6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxylate
CID 54686487
4-hydroxy-6-phenyl-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54681623
6-benzyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54696637
1-Butyl-4-hydroxy-2-quinolone
CID 54676155
Ethyl 1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54676404
Methyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54676766

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (CID 54732480) is 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is CCn1c(=O)c2c(O)cc(=O)oc2c2cc(F)ccc21.
What is the InChIKey of 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is WWWRRSDMUFBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c1-2-16-9-4-3-7(15)5-8(9)13-12(14(16)19)10(17)6-11(18)20-13/h3-6,17H,2H2,1H3.
What are the key properties of 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 275.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54732480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).