6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H28FN5O4 — CID 91525427

IUPAC6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC[C@@H]3CN(CCc4cc5ccc(F)cc5[nH]c4=O)CC[C@@H]3O)nc2N1
InChIInChI=1S/C25H28FN5O4/c26-18-2-1-15-9-16(25(34)29-20(15)10-18)5-7-31-8-6-21(32)17(13-31)11-27-12-19-3-4-22-24(28-19)30-23(33)14-35-22/h1-4,9-10,17,21,27,32H,5-8,11-14H2,(H,29,34)(H,28,30,33)/t17-,21+/m1/s1
InChIKeyUVIYPESOWRHBGN-UTKZUKDTSA-N
MW481.53 g/mol
LogP1.41
Rot. Bonds7

About 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 91525427) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID91525427
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC[C@@H]3CN(CCc4cc5ccc(F)cc5[nH]c4=O)CC[C@@H]3O)nc2N1
InChIInChI=1S/C25H28FN5O4/c26-18-2-1-15-9-16(25(34)29-20(15)10-18)5-7-31-8-6-21(32)17(13-31)11-27-12-19-3-4-22-24(28-19)30-23(33)14-35-22/h1-4,9-10,17,21,27,32H,5-8,11-14H2,(H,29,34)(H,28,30,33)/t17-,21+/m1/s1
InChIKeyUVIYPESOWRHBGN-UTKZUKDTSA-N
XLogP1.41
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]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-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 91525427) is 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC[C@@H]3CN(CCc4cc5ccc(F)cc5[nH]c4=O)CC[C@@H]3O)nc2N1.
What is the InChIKey of 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is UVIYPESOWRHBGN-UTKZUKDTSA-N. The full InChI is InChI=1S/C25H28FN5O4/c26-18-2-1-15-9-16(25(34)29-20(15)10-18)5-7-31-8-6-21(32)17(13-31)11-27-12-19-3-4-22-24(28-19)30-23(33)14-35-22/h1-4,9-10,17,21,27,32H,5-8,11-14H2,(H,29,34)(H,28,30,33)/t17-,21+/m1/s1.
What are the key properties of 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 481.53 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,4S)-1-[2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]-4-hydroxypiperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 91525427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).