6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C25H24FN3O3 — CID 71261693

IUPAC6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4coc5cc(F)ccc45)CC3)cnc2N1
InChIInChI=1S/C25H24FN3O3/c26-20-3-4-21-19(15-32-22(21)13-20)11-16-7-9-29(10-8-16)24(31)6-1-17-12-18-2-5-23(30)28-25(18)27-14-17/h1,3-4,6,12-16H,2,5,7-11H2,(H,27,28,30)/b6-1+
InChIKeyHXXONVYSOKWERP-LZCJLJQNSA-N
MW433.48 g/mol
LogP4.35
Rot. Bonds4

About 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71261693) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71261693
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4coc5cc(F)ccc45)CC3)cnc2N1
InChIInChI=1S/C25H24FN3O3/c26-20-3-4-21-19(15-32-22(21)13-20)11-16-7-9-29(10-8-16)24(31)6-1-17-12-18-2-5-23(30)28-25(18)27-14-17/h1,3-4,6,12-16H,2,5,7-11H2,(H,27,28,30)/b6-1+
InChIKeyHXXONVYSOKWERP-LZCJLJQNSA-N
XLogP4.35
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71261693) is 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4coc5cc(F)ccc45)CC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is HXXONVYSOKWERP-LZCJLJQNSA-N. The full InChI is InChI=1S/C25H24FN3O3/c26-20-3-4-21-19(15-32-22(21)13-20)11-16-7-9-29(10-8-16)24(31)6-1-17-12-18-2-5-23(30)28-25(18)27-14-17/h1,3-4,6,12-16H,2,5,7-11H2,(H,27,28,30)/b6-1+.
What are the key properties of 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 433.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-[4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71261693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).