6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H26FN5O5 — CID 145403595

IUPAC6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)Cc2ccc(F)c(CCNCCC3CN(c4ccc5c(n4)NC(=O)CO5)C(O)O3)c21
InChIInChI=1S/C23H26FN5O5/c1-28-20(31)10-13-2-3-16(24)15(21(13)28)7-9-25-8-6-14-11-29(23(32)34-14)18-5-4-17-22(26-18)27-19(30)12-33-17/h2-5,14,23,25,32H,6-12H2,1H3,(H,26,27,30)
InChIKeyOOEWRBPWKKHTSZ-UHFFFAOYSA-N
MW471.49 g/mol
LogP0.77
Rot. Bonds7

About 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 145403595) has the molecular formula C23H26FN5O5 and a molecular weight of 471.49 g/mol. Its IUPAC name is 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID145403595
Molecular FormulaC23H26FN5O5
Molecular Weight471.49 g/mol
Exact Mass471.19
IUPAC Name6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)Cc2ccc(F)c(CCNCCC3CN(c4ccc5c(n4)NC(=O)CO5)C(O)O3)c21
InChIInChI=1S/C23H26FN5O5/c1-28-20(31)10-13-2-3-16(24)15(21(13)28)7-9-25-8-6-14-11-29(23(32)34-14)18-5-4-17-22(26-18)27-19(30)12-33-17/h2-5,14,23,25,32H,6-12H2,1H3,(H,26,27,30)
InChIKeyOOEWRBPWKKHTSZ-UHFFFAOYSA-N
XLogP0.77
TPSA116.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-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-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 145403595) is 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CN1C(=O)Cc2ccc(F)c(CCNCCC3CN(c4ccc5c(n4)NC(=O)CO5)C(O)O3)c21.
What is the InChIKey of 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is OOEWRBPWKKHTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O5/c1-28-20(31)10-13-2-3-16(24)15(21(13)28)7-9-25-8-6-14-11-29(23(32)34-14)18-5-4-17-22(26-18)27-19(30)12-33-17/h2-5,14,23,25,32H,6-12H2,1H3,(H,26,27,30).
What are the key properties of 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 471.49 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[2-(6-fluoro-1-methyl-2-oxo-3H-indol-7-yl)ethylamino]ethyl]-2-hydroxy-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 145403595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).