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

C22H20N4O5S — CID 71255271

IUPAC3-[3-[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
SMILESO=C1CSc2ccc(N3C[C@H](CCCn4c(=O)[nH]c5ccccc5c4=O)OC3=O)cc2N1
InChIInChI=1S/C22H20N4O5S/c27-19-12-32-18-8-7-13(10-17(18)23-19)26-11-14(31-22(26)30)4-3-9-25-20(28)15-5-1-2-6-16(15)24-21(25)29/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,23,27)(H,24,29)/t14-/m0/s1
InChIKeyAXMBKDIRLYIUQF-AWEZNQCLSA-N
MW452.49 g/mol
LogP2.54
Rot. Bonds5

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

3-[3-[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione (PubChem CID 71255271) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is 3-[3-[(5S)-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 Name3-[3-[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
PubChem CID71255271
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC Name3-[3-[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione
SMILESO=C1CSc2ccc(N3C[C@H](CCCn4c(=O)[nH]c5ccccc5c4=O)OC3=O)cc2N1
InChIInChI=1S/C22H20N4O5S/c27-19-12-32-18-8-7-13(10-17(18)23-19)26-11-14(31-22(26)30)4-3-9-25-20(28)15-5-1-2-6-16(15)24-21(25)29/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,23,27)(H,24,29)/t14-/m0/s1
InChIKeyAXMBKDIRLYIUQF-AWEZNQCLSA-N
XLogP2.54
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-[(5S)-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 3-[3-[(5S)-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 3-[3-[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione (CID 71255271) is 3-[3-[(5S)-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 3-[3-[(5S)-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 3-[3-[(5S)-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(N3C[C@H](CCCn4c(=O)[nH]c5ccccc5c4=O)OC3=O)cc2N1.
What is the InChIKey of 3-[3-[(5S)-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 AXMBKDIRLYIUQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20N4O5S/c27-19-12-32-18-8-7-13(10-17(18)23-19)26-11-14(31-22(26)30)4-3-9-25-20(28)15-5-1-2-6-16(15)24-21(25)29/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,23,27)(H,24,29)/t14-/m0/s1.
What are the key properties of 3-[3-[(5S)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
3-[3-[(5S)-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 452.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5S)-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 71255271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).