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-oxoquinoline-3-carboxylic acid

C27H23FN4O5 — CID 11634756

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-oxoquinoline-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-oxoquinoline-3-carboxylic acid (PubChem CID 11634756) has the molecular formula C27H23FN4O5 and a molecular weight of 502.50 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-oxoquinoline-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-oxoquinoline-3-carboxylic acid
• PubChem CID: 11634756
• Molecular Formula: C27H23FN4O5
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.17
• 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-oxoquinoline-3-carboxylic acid
• SMILES: N#CC1CN(c2ccc3c(c2)CCN(c2cc4c(cc2F)c(=O)c(C(=O)O)cn4C2CC2)CC3)C(=O)O1
• InChI: InChI=1S/C27H23FN4O5/c28-22-10-20-23(31(17-3-4-17)14-21(25(20)33)26(34)35)11-24(22)30-7-5-15-1-2-18(9-16(15)6-8-30)32-13-19(12-29)37-27(32)36/h1-2,9-11,14,17,19H,3-8,13H2,(H,34,35)
• InChIKey: FLEKOVUGVNCWTI-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 115.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-oxoquinoline-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-oxoquinoline-3-carboxylic acid (CID 11634756) 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-oxoquinoline-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-oxoquinoline-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-oxoquinoline-3-carboxylic acid is N#CC1CN(c2ccc3c(c2)CCN(c2cc4c(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-oxoquinoline-3-carboxylic acid?

The InChIKey is FLEKOVUGVNCWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O5/c28-22-10-20-23(31(17-3-4-17)14-21(25(20)33)26(34)35)11-24(22)30-7-5-15-1-2-18(9-16(15)6-8-30)32-13-19(12-29)37-27(32)36/h1-2,9-11,14,17,19H,3-8,13H2,(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-oxoquinoline-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-oxoquinoline-3-carboxylic acid has a molecular weight of 502.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 11634756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).