7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C44H52F2N8O10 — CID 122186529

About 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 122186529) has the molecular formula C44H52F2N8O10 and a molecular weight of 890.94 g/mol. Its IUPAC name is 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 122186529
• Molecular Formula: C44H52F2N8O10
• Molecular Weight: 890.94 g/mol
• Exact Mass: 890.38
• IUPAC Name: 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: O=C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)NCCOCCOCCNC(=O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
• InChI: InChI=1S/C44H52F2N8O10/c45-33-19-29-35(53(27-1-2-27)23-31(41(29)57)43(59)60)21-37(33)51-11-7-49(8-12-51)25-39(55)47-5-15-63-17-18-64-16-6-48-40(56)26-50-9-13-52(14-10-50)38-22-36-30(20-34(38)46)42(58)32(44(61)62)24-54(36)28-3-4-28/h19-24,27-28H,1-18,25-26H2,(H,47,55)(H,48,56)(H,59,60)(H,61,62)
• InChIKey: UTTFLOMEJOPPOK-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 208.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.94
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 122186529) is 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is O=C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)NCCOCCOCCNC(=O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1.

What is the InChIKey of 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is UTTFLOMEJOPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52F2N8O10/c45-33-19-29-35(53(27-1-2-27)23-31(41(29)57)43(59)60)21-37(33)51-11-7-49(8-12-51)25-39(55)47-5-15-63-17-18-64-16-6-48-40(56)26-50-9-13-52(14-10-50)38-22-36-30(20-34(38)46)42(58)32(44(61)62)24-54(36)28-3-4-28/h19-24,27-28H,1-18,25-26H2,(H,47,55)(H,48,56)(H,59,60)(H,61,62).

What are the key properties of 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?

7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 890.94 g/mol, XLogP of 1.87, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[2-[2-[2-[2-[[2-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 122186529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).