8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one

C20H15FN2O2 — CID 11473092

IUPAC8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESO=C1OCCc2cc(-c3ccccc3)nc(Nc3ccc(F)cc3)c21
InChIInChI=1S/C20H15FN2O2/c21-15-6-8-16(9-7-15)22-19-18-14(10-11-25-20(18)24)12-17(23-19)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)
InChIKeyLREYEDHWXUBMBM-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.34
Rot. Bonds3

About 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one

8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one (PubChem CID 11473092) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
PubChem CID11473092
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESO=C1OCCc2cc(-c3ccccc3)nc(Nc3ccc(F)cc3)c21
InChIInChI=1S/C20H15FN2O2/c21-15-6-8-16(9-7-15)22-19-18-14(10-11-25-20(18)24)12-17(23-19)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)
InChIKeyLREYEDHWXUBMBM-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The IUPAC name of 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one (CID 11473092) is 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one.
What is the SMILES notation for 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The canonical SMILES for 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one is O=C1OCCc2cc(-c3ccccc3)nc(Nc3ccc(F)cc3)c21.
What is the InChIKey of 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The InChIKey is LREYEDHWXUBMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-15-6-8-16(9-7-15)22-19-18-14(10-11-25-20(18)24)12-17(23-19)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23).
What are the key properties of 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one has a molecular weight of 334.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoroanilino)-6-phenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one is sourced from PubChem (CID 11473092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).