6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C22H23FN4O4 — CID 156862246

IUPAC6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3CC(CCCNC4Cc5cccc(F)c5C4)OC3=O)nc2N1
InChIInChI=1S/C22H23FN4O4/c23-17-5-1-3-13-9-14(10-16(13)17)24-8-2-4-15-11-27(22(29)31-15)19-7-6-18-21(25-19)26-20(28)12-30-18/h1,3,5-7,14-15,24H,2,4,8-12H2,(H,25,26,28)
InChIKeyRGGQDRQYPLQVTQ-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.41
Rot. Bonds6

About 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 156862246) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID156862246
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC Name6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3CC(CCCNC4Cc5cccc(F)c5C4)OC3=O)nc2N1
InChIInChI=1S/C22H23FN4O4/c23-17-5-1-3-13-9-14(10-16(13)17)24-8-2-4-15-11-27(22(29)31-15)19-7-6-18-21(25-19)26-20(28)12-30-18/h1,3,5-7,14-15,24H,2,4,8-12H2,(H,25,26,28)
InChIKeyRGGQDRQYPLQVTQ-UHFFFAOYSA-N
XLogP2.41
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-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-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 156862246) is 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3CC(CCCNC4Cc5cccc(F)c5C4)OC3=O)nc2N1.
What is the InChIKey of 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is RGGQDRQYPLQVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4/c23-17-5-1-3-13-9-14(10-16(13)17)24-8-2-4-15-11-27(22(29)31-15)19-7-6-18-21(25-19)26-20(28)12-30-18/h1,3,5-7,14-15,24H,2,4,8-12H2,(H,25,26,28).
What are the key properties of 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 426.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 156862246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).