3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one

C21H14N4O5 — CID 54684803

IUPAC3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2ncccc2c(O)c1C(c1ccco1)c1c(O)c2cccnc2[nH]c1=O
InChIInChI=1S/C21H14N4O5/c26-16-10-4-1-7-22-18(10)24-20(28)14(16)13(12-6-3-9-30-12)15-17(27)11-5-2-8-23-19(11)25-21(15)29/h1-9,13H,(H2,22,24,26,28)(H2,23,25,27,29)
InChIKeyYNGZJDFQCPDPNY-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.34
Rot. Bonds3

About 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one

3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one (PubChem CID 54684803) has the molecular formula C21H14N4O5 and a molecular weight of 402.37 g/mol. Its IUPAC name is 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one
PubChem CID54684803
Molecular FormulaC21H14N4O5
Molecular Weight402.37 g/mol
Exact Mass402.10
IUPAC Name3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2ncccc2c(O)c1C(c1ccco1)c1c(O)c2cccnc2[nH]c1=O
InChIInChI=1S/C21H14N4O5/c26-16-10-4-1-7-22-18(10)24-20(28)14(16)13(12-6-3-9-30-12)15-17(27)11-5-2-8-23-19(11)25-21(15)29/h1-9,13H,(H2,22,24,26,28)(H2,23,25,27,29)
InChIKeyYNGZJDFQCPDPNY-UHFFFAOYSA-N
XLogP2.34
TPSA145.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one (CID 54684803) is 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one is O=c1[nH]c2ncccc2c(O)c1C(c1ccco1)c1c(O)c2cccnc2[nH]c1=O.
What is the InChIKey of 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one?
The InChIKey is YNGZJDFQCPDPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O5/c26-16-10-4-1-7-22-18(10)24-20(28)14(16)13(12-6-3-9-30-12)15-17(27)11-5-2-8-23-19(11)25-21(15)29/h1-9,13H,(H2,22,24,26,28)(H2,23,25,27,29).
What are the key properties of 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one?
3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one has a molecular weight of 402.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-yl-(4-hydroxy-2-oxo-1H-1,8-naphthyridin-3-yl)methyl]-4-hydroxy-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 54684803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).