6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H26FN5O4 — CID 71181386

IUPAC6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(=O)[nH]c56)(CC3)OC4)nc2N1
InChIInChI=1S/C25H26FN5O4/c26-17-12-27-18-2-4-20(32)30-22(18)16(17)5-6-25-9-7-24(8-10-25,14-35-25)28-11-15-1-3-19-23(29-15)31-21(33)13-34-19/h1-4,12,28H,5-11,13-14H2,(H,30,32)(H,29,31,33)
InChIKeyMBHXCYHYWQPDMS-UHFFFAOYSA-N
MW479.51 g/mol
LogP2.59
Rot. Bonds6

About 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 71181386) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID71181386
Molecular FormulaC25H26FN5O4
Molecular Weight479.51 g/mol
Exact Mass479.20
IUPAC Name6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(=O)[nH]c56)(CC3)OC4)nc2N1
InChIInChI=1S/C25H26FN5O4/c26-17-12-27-18-2-4-20(32)30-22(18)16(17)5-6-25-9-7-24(8-10-25,14-35-25)28-11-15-1-3-19-23(29-15)31-21(33)13-34-19/h1-4,12,28H,5-11,13-14H2,(H,30,32)(H,29,31,33)
InChIKeyMBHXCYHYWQPDMS-UHFFFAOYSA-N
XLogP2.59
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 71181386) is 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(=O)[nH]c56)(CC3)OC4)nc2N1.
What is the InChIKey of 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is MBHXCYHYWQPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c26-17-12-27-18-2-4-20(32)30-22(18)16(17)5-6-25-9-7-24(8-10-25,14-35-25)28-11-15-1-3-19-23(29-15)31-21(33)13-34-19/h1-4,12,28H,5-11,13-14H2,(H,30,32)(H,29,31,33).
What are the key properties of 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 479.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(3-fluoro-6-oxo-5H-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 71181386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).