6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

C25H15F2NO4S — CID 59240925

IUPAC6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1oc2c(c(O)c1Sc1cccc(F)c1)c(=O)n(Cc1ccccc1F)c1ccccc21
InChIInChI=1S/C25H15F2NO4S/c26-15-7-5-8-16(12-15)33-23-21(29)20-22(32-25(23)31)17-9-2-4-11-19(17)28(24(20)30)13-14-6-1-3-10-18(14)27/h1-12,29H,13H2
InChIKeyVHENOWQHJCWUPZ-UHFFFAOYSA-N
MW463.46 g/mol
LogP5.29
Rot. Bonds4

About 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (PubChem CID 59240925) has the molecular formula C25H15F2NO4S and a molecular weight of 463.46 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
PubChem CID59240925
Molecular FormulaC25H15F2NO4S
Molecular Weight463.46 g/mol
Exact Mass463.07
IUPAC Name6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1oc2c(c(O)c1Sc1cccc(F)c1)c(=O)n(Cc1ccccc1F)c1ccccc21
InChIInChI=1S/C25H15F2NO4S/c26-15-7-5-8-16(12-15)33-23-21(29)20-22(32-25(23)31)17-9-2-4-11-19(17)28(24(20)30)13-14-6-1-3-10-18(14)27/h1-12,29H,13H2
InChIKeyVHENOWQHJCWUPZ-UHFFFAOYSA-N
XLogP5.29
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-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

6-benzyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54696637
6-cyclohexyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54687594
6-butyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54694076
9-Fluoro-6-heptyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
CID 168277365
3-(4-Fluorophenyl)sulfanyl-4-hydroxy-1-methylquinolin-2-one
CID 135033752
Prop-2-enyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54731946
6-Ethyl-9-fluoro-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
CID 54732480
8-Bromo-3-(4-chlorophenyl)sulfanyl-6-[(4-fluorophenyl)methyl]-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
CID 54748988
3-(3-Fluorophenyl)sulfanyl-4-hydroxy-6-[(2-methoxyphenyl)methyl]pyrano[3,2-c]quinoline-2,5-dione
CID 59240738
6-[(3-Fluorophenyl)methyl]-4-hydroxy-8-methoxy-3-(3-methoxyphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
CID 59240741
10-(4-Fluorophenyl)-6-hydroxy-5-(4-methylphenyl)sulfanyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione
CID 59240754
9-Bromo-6-[(3-fluorophenyl)methyl]-4-hydroxy-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione
CID 59240755

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (CID 59240925) is 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is O=c1oc2c(c(O)c1Sc1cccc(F)c1)c(=O)n(Cc1ccccc1F)c1ccccc21.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is VHENOWQHJCWUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F2NO4S/c26-15-7-5-8-16(12-15)33-23-21(29)20-22(32-25(23)31)17-9-2-4-11-19(17)28(24(20)30)13-14-6-1-3-10-18(14)27/h1-12,29H,13H2.
What are the key properties of 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 463.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-3-(3-fluorophenyl)sulfanyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 59240925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).