6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione

C26H15F4NO4S — CID 59240867

IUPAC6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1oc2c(c(O)c1Sc1ccc(C(F)(F)F)cc1)c(=O)n(Cc1ccc(F)cc1)c1ccccc21
InChIInChI=1S/C26H15F4NO4S/c27-16-9-5-14(6-10-16)13-31-19-4-2-1-3-18(19)22-20(24(31)33)21(32)23(25(34)35-22)36-17-11-7-15(8-12-17)26(28,29)30/h1-12,32H,13H2
InChIKeyWFNQWIVIZLEMHP-UHFFFAOYSA-N
MW513.47 g/mol
LogP6.17
Rot. Bonds4

About 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione

6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 59240867) has the molecular formula C26H15F4NO4S and a molecular weight of 513.47 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID59240867
Molecular FormulaC26H15F4NO4S
Molecular Weight513.47 g/mol
Exact Mass513.07
IUPAC Name6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1oc2c(c(O)c1Sc1ccc(C(F)(F)F)cc1)c(=O)n(Cc1ccc(F)cc1)c1ccccc21
InChIInChI=1S/C26H15F4NO4S/c27-16-9-5-14(6-10-16)13-31-19-4-2-1-3-18(19)22-20(24(31)33)21(32)23(25(34)35-22)36-17-11-7-15(8-12-17)26(28,29)30/h1-12,32H,13H2
InChIKeyWFNQWIVIZLEMHP-UHFFFAOYSA-N
XLogP6.17
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione (CID 59240867) is 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione is O=c1oc2c(c(O)c1Sc1ccc(C(F)(F)F)cc1)c(=O)n(Cc1ccc(F)cc1)c1ccccc21.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is WFNQWIVIZLEMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F4NO4S/c27-16-9-5-14(6-10-16)13-31-19-4-2-1-3-18(19)22-20(24(31)33)21(32)23(25(34)35-22)36-17-11-7-15(8-12-17)26(28,29)30/h1-12,32H,13H2.
What are the key properties of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione?
6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 513.47 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 59240867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).