5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C26H26N4O5S — CID 67134702

About 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 67134702) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 67134702
• Molecular Formula: C26H26N4O5S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2ccc(=O)n(CC3CN(CC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2c1
• InChI: InChI=1S/C26H26N4O5S/c1-34-19-5-2-17-3-7-25(32)30(22(17)9-19)12-16-10-28(11-16)13-20-14-29(26(33)35-20)18-4-6-23-21(8-18)27-24(31)15-36-23/h2-9,16,20H,10-15H2,1H3,(H,27,31)
• InChIKey: NZKUHOFCVRDQQE-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 93.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 67134702) is 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2ccc(=O)n(CC3CN(CC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2c1.

What is the InChIKey of 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is NZKUHOFCVRDQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-34-19-5-2-17-3-7-25(32)30(22(17)9-19)12-16-10-28(11-16)13-20-14-29(26(33)35-20)18-4-6-23-21(8-18)27-24(31)15-36-23/h2-9,16,20H,10-15H2,1H3,(H,27,31).

What are the key properties of 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?

5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 506.58 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67134702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).