6,7-difluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione

C22H18F2N4O5S — CID 71255623

IUPAC6,7-difluoro-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]c5cc(F)c(F)cc5c4=O)OC3=O)cc2N1
InChIInChI=1S/C22H18F2N4O5S/c23-14-7-13-16(8-15(14)24)26-21(31)27(20(13)30)5-1-2-12-9-28(22(32)33-12)11-3-4-18-17(6-11)25-19(29)10-34-18/h3-4,6-8,12H,1-2,5,9-10H2,(H,25,29)(H,26,31)
InChIKeyWRVVQGQTOCCQTR-UHFFFAOYSA-N
MW488.47 g/mol
LogP2.82
Rot. Bonds5

About 6,7-difluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione

6,7-difluoro-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 71255623) has the molecular formula C22H18F2N4O5S and a molecular weight of 488.47 g/mol. Its IUPAC name is 6,7-difluoro-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 Name6,7-difluoro-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 CID71255623
Molecular FormulaC22H18F2N4O5S
Molecular Weight488.47 g/mol
Exact Mass488.10
IUPAC Name6,7-difluoro-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]c5cc(F)c(F)cc5c4=O)OC3=O)cc2N1
InChIInChI=1S/C22H18F2N4O5S/c23-14-7-13-16(8-15(14)24)26-21(31)27(20(13)30)5-1-2-12-9-28(22(32)33-12)11-3-4-18-17(6-11)25-19(29)10-34-18/h3-4,6-8,12H,1-2,5,9-10H2,(H,25,29)(H,26,31)
InChIKeyWRVVQGQTOCCQTR-UHFFFAOYSA-N
XLogP2.82
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6,7-difluoro-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-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 6,7-difluoro-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 71255623) is 6,7-difluoro-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 6,7-difluoro-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 6,7-difluoro-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]c5cc(F)c(F)cc5c4=O)OC3=O)cc2N1.
What is the InChIKey of 6,7-difluoro-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 WRVVQGQTOCCQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O5S/c23-14-7-13-16(8-15(14)24)26-21(31)27(20(13)30)5-1-2-12-9-28(22(32)33-12)11-3-4-18-17(6-11)25-19(29)10-34-18/h3-4,6-8,12H,1-2,5,9-10H2,(H,25,29)(H,26,31).
What are the key properties of 6,7-difluoro-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-1H-quinazoline-2,4-dione?
6,7-difluoro-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 488.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-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 71255623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).