3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione

C25H16FNO5S — CID 59240966

IUPAC3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1ccc2c3oc(=O)c(Sc4ccccc4F)c(O)c3c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C25H16FNO5S/c1-31-15-11-12-16-18(13-15)27(14-7-3-2-4-8-14)24(29)20-21(28)23(25(30)32-22(16)20)33-19-10-6-5-9-17(19)26/h2-13,28H,1H3
InChIKeyRJDIVYHNIHOZQE-UHFFFAOYSA-N
MW461.47 g/mol
LogP5.10
Rot. Bonds4

About 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione

3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 59240966) has the molecular formula C25H16FNO5S and a molecular weight of 461.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID59240966
Molecular FormulaC25H16FNO5S
Molecular Weight461.47 g/mol
Exact Mass461.07
IUPAC Name3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1ccc2c3oc(=O)c(Sc4ccccc4F)c(O)c3c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C25H16FNO5S/c1-31-15-11-12-16-18(13-15)27(14-7-3-2-4-8-14)24(29)20-21(28)23(25(30)32-22(16)20)33-19-10-6-5-9-17(19)26/h2-13,28H,1H3
InChIKeyRJDIVYHNIHOZQE-UHFFFAOYSA-N
XLogP5.10
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-(3-hydroxyphenyl)sulfanyl-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
CID 59240844
3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-(3-morpholin-4-ylpropoxy)-6-phenylpyrano[3,2-c]quinoline-2,5-dione
CID 145494627
3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
CID 59241685
3-(3-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)pyrano[3,2-c]quinoline-2,5-dione
CID 59241153
3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 159010766
methyl 3-(4-hydroxy-2,5-dioxo-6-phenylpyrano[3,2-c]quinolin-3-yl)sulfanylbenzoate
CID 59241481
3-(4-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241370
methyl 2-[3-(4-hydroxy-2,5-dioxo-6-phenylpyrano[3,2-c]quinolin-3-yl)sulfanylphenoxy]acetate
CID 59241024
6-[(4-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methylsulfonylpyrano[3,2-c]quinoline-2,5-dione
CID 59241120
4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenyl-3-[4-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59241446
3-(4-fluorophenyl)sulfanyl-4-hydroxy-6-(4-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241003
3-(3-chlorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240956

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione (CID 59240966) is 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione is COc1ccc2c3oc(=O)c(Sc4ccccc4F)c(O)c3c(=O)n(-c3ccccc3)c2c1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is RJDIVYHNIHOZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FNO5S/c1-31-15-11-12-16-18(13-15)27(14-7-3-2-4-8-14)24(29)20-21(28)23(25(30)32-22(16)20)33-19-10-6-5-9-17(19)26/h2-13,28H,1H3.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 461.47 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 59240966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).