5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione

C22H19FN4O5S — CID 71255330

IUPAC5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
SMILESO=C1CSc2ccc(N3CC(CCCn4c(=O)[nH]c5cccc(F)c5c4=O)OC3=O)cc2N1
InChIInChI=1S/C22H19FN4O5S/c23-14-4-1-5-15-19(14)20(29)26(21(30)25-15)8-2-3-13-10-27(22(31)32-13)12-6-7-17-16(9-12)24-18(28)11-33-17/h1,4-7,9,13H,2-3,8,10-11H2,(H,24,28)(H,25,30)
InChIKeyUCBWTEYEKPRUIU-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.68
Rot. Bonds5

About 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione

5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione (PubChem CID 71255330) has the molecular formula C22H19FN4O5S and a molecular weight of 470.48 g/mol. Its IUPAC name is 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
PubChem CID71255330
Molecular FormulaC22H19FN4O5S
Molecular Weight470.48 g/mol
Exact Mass470.11
IUPAC Name5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
SMILESO=C1CSc2ccc(N3CC(CCCn4c(=O)[nH]c5cccc(F)c5c4=O)OC3=O)cc2N1
InChIInChI=1S/C22H19FN4O5S/c23-14-4-1-5-15-19(14)20(29)26(21(30)25-15)8-2-3-13-10-27(22(31)32-13)12-6-7-17-16(9-12)24-18(28)11-33-17/h1,4-7,9,13H,2-3,8,10-11H2,(H,24,28)(H,25,30)
InChIKeyUCBWTEYEKPRUIU-UHFFFAOYSA-N
XLogP2.68
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione (CID 71255330) is 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione is O=C1CSc2ccc(N3CC(CCCn4c(=O)[nH]c5cccc(F)c5c4=O)OC3=O)cc2N1.
What is the InChIKey of 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
The InChIKey is UCBWTEYEKPRUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O5S/c23-14-4-1-5-15-19(14)20(29)26(21(30)25-15)8-2-3-13-10-27(22(31)32-13)12-6-7-17-16(9-12)24-18(28)11-33-17/h1,4-7,9,13H,2-3,8,10-11H2,(H,24,28)(H,25,30).
What are the key properties of 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione has a molecular weight of 470.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 71255330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).