6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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

C29H33FN6O4 — CID 71153160

IUPAC6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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(N7CCOCC7)nc56)(CC3)OC4)nc2N1
InChIInChI=1S/C29H33FN6O4/c30-21-16-31-22-2-4-24(36-11-13-38-14-12-36)34-26(22)20(21)5-6-29-9-7-28(8-10-29,18-40-29)32-15-19-1-3-23-27(33-19)35-25(37)17-39-23/h1-4,16,32H,5-15,17-18H2,(H,33,35,37)
InChIKeyDLRCXWPQWVOEOS-UHFFFAOYSA-N
MW548.62 g/mol
LogP3.14
Rot. Bonds7

About 6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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-morpholin-4-yl-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 71153160) has the molecular formula C29H33FN6O4 and a molecular weight of 548.62 g/mol. Its IUPAC name is 6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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-morpholin-4-yl-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 CID71153160
Molecular FormulaC29H33FN6O4
Molecular Weight548.62 g/mol
Exact Mass548.25
IUPAC Name6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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(N7CCOCC7)nc56)(CC3)OC4)nc2N1
InChIInChI=1S/C29H33FN6O4/c30-21-16-31-22-2-4-24(36-11-13-38-14-12-36)34-26(22)20(21)5-6-29-9-7-28(8-10-29,18-40-29)32-15-19-1-3-23-27(33-19)35-25(37)17-39-23/h1-4,16,32H,5-15,17-18H2,(H,33,35,37)
InChIKeyDLRCXWPQWVOEOS-UHFFFAOYSA-N
XLogP3.14
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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-morpholin-4-yl-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-morpholin-4-yl-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 71153160) is 6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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-morpholin-4-yl-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-morpholin-4-yl-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(N7CCOCC7)nc56)(CC3)OC4)nc2N1.
What is the InChIKey of 6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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 DLRCXWPQWVOEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6O4/c30-21-16-31-22-2-4-24(36-11-13-38-14-12-36)34-26(22)20(21)5-6-29-9-7-28(8-10-29,18-40-29)32-15-19-1-3-23-27(33-19)35-25(37)17-39-23/h1-4,16,32H,5-15,17-18H2,(H,33,35,37).
What are the key properties of 6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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-morpholin-4-yl-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 548.62 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(3-fluoro-6-morpholin-4-yl-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 71153160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).