6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione

C26H19FN2O5S — CID 59241256

IUPAC6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione
SMILESCOc1ccc(Sc2c(O)c3c(=O)n(Cc4ccc(F)cc4)c4nc(C)ccc4c3oc2=O)cc1
InChIInChI=1S/C26H19FN2O5S/c1-14-3-12-19-22-20(25(31)29(24(19)28-14)13-15-4-6-16(27)7-5-15)21(30)23(26(32)34-22)35-18-10-8-17(33-2)9-11-18/h3-12,30H,13H2,1-2H3
InChIKeyZUMFNXPHVKAIGU-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.86
Rot. Bonds5

About 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione

6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione (PubChem CID 59241256) has the molecular formula C26H19FN2O5S and a molecular weight of 490.51 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione
PubChem CID59241256
Molecular FormulaC26H19FN2O5S
Molecular Weight490.51 g/mol
Exact Mass490.10
IUPAC Name6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione
SMILESCOc1ccc(Sc2c(O)c3c(=O)n(Cc4ccc(F)cc4)c4nc(C)ccc4c3oc2=O)cc1
InChIInChI=1S/C26H19FN2O5S/c1-14-3-12-19-22-20(25(31)29(24(19)28-14)13-15-4-6-16(27)7-5-15)21(30)23(26(32)34-22)35-18-10-8-17(33-2)9-11-18/h3-12,30H,13H2,1-2H3
InChIKeyZUMFNXPHVKAIGU-UHFFFAOYSA-N
XLogP4.86
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione (CID 59241256) is 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione is COc1ccc(Sc2c(O)c3c(=O)n(Cc4ccc(F)cc4)c4nc(C)ccc4c3oc2=O)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione?
The InChIKey is ZUMFNXPHVKAIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O5S/c1-14-3-12-19-22-20(25(31)29(24(19)28-14)13-15-4-6-16(27)7-5-15)21(30)23(26(32)34-22)35-18-10-8-17(33-2)9-11-18/h3-12,30H,13H2,1-2H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione?
6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione has a molecular weight of 490.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)sulfanyl-8-methylpyrano[3,2-c][1,8]naphthyridine-2,5-dione is sourced from PubChem (CID 59241256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).