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

C24H11F4NO4S — CID 59240816

IUPAC4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1oc2c(c(O)c1Sc1c(F)c(F)cc(F)c1F)c(=O)n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C24H11F4NO4S/c25-13-10-14(26)18(28)21(17(13)27)34-22-19(30)16-20(33-24(22)32)12-8-4-5-9-15(12)29(23(16)31)11-6-2-1-3-7-11/h1-10,30H
InChIKeyMPWJONAJVVMRHT-UHFFFAOYSA-N
MW485.41 g/mol
LogP5.51
Rot. Bonds3

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

4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 59240816) has the molecular formula C24H11F4NO4S and a molecular weight of 485.41 g/mol. Its IUPAC name is 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID59240816
Molecular FormulaC24H11F4NO4S
Molecular Weight485.41 g/mol
Exact Mass485.03
IUPAC Name4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1oc2c(c(O)c1Sc1c(F)c(F)cc(F)c1F)c(=O)n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C24H11F4NO4S/c25-13-10-14(26)18(28)21(17(13)27)34-22-19(30)16-20(33-24(22)32)12-8-4-5-9-15(12)29(23(16)31)11-6-2-1-3-7-11/h1-10,30H
InChIKeyMPWJONAJVVMRHT-UHFFFAOYSA-N
XLogP5.51
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.41
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione (CID 59240816) is 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione is O=c1oc2c(c(O)c1Sc1c(F)c(F)cc(F)c1F)c(=O)n(-c1ccccc1)c1ccccc21.
What is the InChIKey of 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is MPWJONAJVVMRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11F4NO4S/c25-13-10-14(26)18(28)21(17(13)27)34-22-19(30)16-20(33-24(22)32)12-8-4-5-9-15(12)29(23(16)31)11-6-2-1-3-7-11/h1-10,30H.
What are the key properties of 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione?
4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 485.41 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 59240816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).