7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C26H22FN5O5 — CID 11691866

About 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11691866) has the molecular formula C26H22FN5O5 and a molecular weight of 503.49 g/mol. Its IUPAC name is 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 11691866
• Molecular Formula: C26H22FN5O5
• Molecular Weight: 503.49 g/mol
• Exact Mass: 503.16
• IUPAC Name: 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: N#CC1CN(c2ccc3c(c2)CCN(c2nc4c(cc2F)c(=O)c(C(=O)O)cn4C2CC2)CC3)C(=O)O1
• InChI: InChI=1S/C26H22FN5O5/c27-21-10-19-22(33)20(25(34)35)13-31(16-3-4-16)23(19)29-24(21)30-7-5-14-1-2-17(9-15(14)6-8-30)32-12-18(11-28)37-26(32)36/h1-2,9-10,13,16,18H,3-8,12H2,(H,34,35)
• InChIKey: QWZPTFNBTNYMOJ-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 128.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.49
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 11691866) is 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is N#CC1CN(c2ccc3c(c2)CCN(c2nc4c(cc2F)c(=O)c(C(=O)O)cn4C2CC2)CC3)C(=O)O1.

What is the InChIKey of 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is QWZPTFNBTNYMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O5/c27-21-10-19-22(33)20(25(34)35)13-31(16-3-4-16)23(19)29-24(21)30-7-5-14-1-2-17(9-15(14)6-8-30)32-12-18(11-28)37-26(32)36/h1-2,9-10,13,16,18H,3-8,12H2,(H,34,35).

What are the key properties of 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 503.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-(5-cyano-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11691866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).