[1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium

C23H21ClF2N4O10P2+2 — CID 146430286

About [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium

[1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium (PubChem CID 146430286) has the molecular formula C23H21ClF2N4O10P2+2 and a molecular weight of 648.84 g/mol. Its IUPAC name is [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium
• PubChem CID: 146430286
• Molecular Formula: C23H21ClF2N4O10P2+2
• Molecular Weight: 648.84 g/mol
• Exact Mass: 648.04
• IUPAC Name: [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium
• SMILES: CCc1cc2c(=O)c(C(=O)O)cn(-c3nc(NC(=O)OC(C)([P+](=O)O)[P+](=O)O)c(F)cc3F)c2c(Cl)c1N1CC(O)C1
• InChI: InChI=1S/C23H19ClF2N4O10P2/c1-3-9-4-11-17(15(24)16(9)29-6-10(31)7-29)30(8-12(18(11)32)21(33)34)20-14(26)5-13(25)19(27-20)28-22(35)40-23(2,41(36)37)42(38)39/h4-5,8,10,31H,3,6-7H2,1-2H3,(H2-2,27,28,33,34,35,36,37,38,39)/p+2
• InChIKey: IUYTVGZAMOEAEU-UHFFFAOYSA-P
• XLogP: 3.45
• TPSA: 208.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	648.84
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium?

The IUPAC name of [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium (CID 146430286) is [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium.

What is the SMILES notation for [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium?

The canonical SMILES for [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium is CCc1cc2c(=O)c(C(=O)O)cn(-c3nc(NC(=O)OC(C)([P+](=O)O)[P+](=O)O)c(F)cc3F)c2c(Cl)c1N1CC(O)C1.

What is the InChIKey of [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium?

The InChIKey is IUYTVGZAMOEAEU-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H19ClF2N4O10P2/c1-3-9-4-11-17(15(24)16(9)29-6-10(31)7-29)30(8-12(18(11)32)21(33)34)20-14(26)5-13(25)19(27-20)28-22(35)40-23(2,41(36)37)42(38)39/h4-5,8,10,31H,3,6-7H2,1-2H3,(H2-2,27,28,33,34,35,36,37,38,39)/p+2.

What are the key properties of [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium?

[1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium has a molecular weight of 648.84 g/mol, XLogP of 3.45, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[6-[3-carboxy-8-chloro-6-ethyl-7-(3-hydroxyazetidin-1-yl)-4-oxoquinolin-1-yl]-3,5-difluoro-2-pyridinyl]carbamoyloxy]-1-[hydroxy(oxo)phosphaniumyl]ethyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 146430286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).