(1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

C22H16FNO4 — CID 5370182

IUPAC(1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C22H16FNO4/c1-13-10-17-19(28-22(26)20(17)21(25)24-13)11-14-6-8-16(9-7-14)27-12-15-4-2-3-5-18(15)23/h2-11H,12H2,1H3,(H,24,25)/b19-11-
InChIKeyBQEPMXPTKHKHFZ-ODLFYWEKSA-N
MW377.37 g/mol
LogP4.07
Rot. Bonds4

About (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

(1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 5370182) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID5370182
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name(1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C22H16FNO4/c1-13-10-17-19(28-22(26)20(17)21(25)24-13)11-14-6-8-16(9-7-14)27-12-15-4-2-3-5-18(15)23/h2-11H,12H2,1H3,(H,24,25)/b19-11-
InChIKeyBQEPMXPTKHKHFZ-ODLFYWEKSA-N
XLogP4.07
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 5370182) is (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is BQEPMXPTKHKHFZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C22H16FNO4/c1-13-10-17-19(28-22(26)20(17)21(25)24-13)11-14-6-8-16(9-7-14)27-12-15-4-2-3-5-18(15)23/h2-11H,12H2,1H3,(H,24,25)/b19-11-.
What are the key properties of (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 377.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 5370182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).