[3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium

C29H35FN4O5P2 — CID 137289131

About [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium

[3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium (PubChem CID 137289131) has the molecular formula C29H35FN4O5P2 and a molecular weight of 600.57 g/mol. Its IUPAC name is [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium.

Molecular Properties

• Compound Name: [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium
• PubChem CID: 137289131
• Molecular Formula: C29H35FN4O5P2
• Molecular Weight: 600.57 g/mol
• Exact Mass: 600.21
• IUPAC Name: [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium
• SMILES: Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCOCCOCCC(F)(P)[P+]([O-])=NO)cc3C)cc12
• InChI: InChI=1S/C29H35FN4O5P2/c1-19-3-8-24-25-17-21(18-32-27(25)28(31)33-26(24)15-19)4-5-22-6-7-23(16-20(22)2)39-14-13-38-12-11-37-10-9-29(30,40)41(36)34-35/h3,6-8,15-18,35H,4-5,9-14,40H2,1-2H3,(H2,31,33)
• InChIKey: GWHIGBHWKHIFQO-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 135.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.57
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium?

The IUPAC name of [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium (CID 137289131) is [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium.

What is the SMILES notation for [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium?

The canonical SMILES for [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium is Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCOCCOCCC(F)(P)[P+]([O-])=NO)cc3C)cc12.

What is the InChIKey of [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium?

The InChIKey is GWHIGBHWKHIFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O5P2/c1-19-3-8-24-25-17-21(18-32-27(25)28(31)33-26(24)15-19)4-5-22-6-7-23(16-20(22)2)39-14-13-38-12-11-37-10-9-29(30,40)41(36)34-35/h3,6-8,15-18,35H,4-5,9-14,40H2,1-2H3,(H2,31,33).

What are the key properties of [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium?

[3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium has a molecular weight of 600.57 g/mol, XLogP of 5.40, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1-fluoro-1-phosphanylpropyl]-hydroxyimino-oxidophosphanium is sourced from PubChem (CID 137289131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).