8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one

C18H12FN3O2 — CID 58094681

IUPAC8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2c(-c3ccco3)cnc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C18H12FN3O2/c19-11-3-5-12(6-4-11)22-17-16-13(7-8-20-18(16)23)14(10-21-17)15-2-1-9-24-15/h1-10H,(H,20,23)(H,21,22)
InChIKeySHQVTUHVIFTXSL-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.07
Rot. Bonds3

About 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one

8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 58094681) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one
PubChem CID58094681
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2c(-c3ccco3)cnc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C18H12FN3O2/c19-11-3-5-12(6-4-11)22-17-16-13(7-8-20-18(16)23)14(10-21-17)15-2-1-9-24-15/h1-10H,(H,20,23)(H,21,22)
InChIKeySHQVTUHVIFTXSL-UHFFFAOYSA-N
XLogP4.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one (CID 58094681) is 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2c(-c3ccco3)cnc(Nc3ccc(F)cc3)c12.
What is the InChIKey of 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is SHQVTUHVIFTXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-11-3-5-12(6-4-11)22-17-16-13(7-8-20-18(16)23)14(10-21-17)15-2-1-9-24-15/h1-10H,(H,20,23)(H,21,22).
What are the key properties of 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one?
8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 321.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoroanilino)-5-(furan-2-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).