[(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid

C42H51N2O8P — CID 58215009

About [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid

[(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid (PubChem CID 58215009) has the molecular formula C42H51N2O8P and a molecular weight of 742.85 g/mol. Its IUPAC name is [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid.

Molecular Properties

• Compound Name: [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid
• PubChem CID: 58215009
• Molecular Formula: C42H51N2O8P
• Molecular Weight: 742.85 g/mol
• Exact Mass: 742.34
• IUPAC Name: [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid
• SMILES: COc1ccc2c(O[C@@H]3CC4C(=O)C[C@]5(P(C)(=O)O)CC5/C=C\CCCCCC(CC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3ccccc3)nc2c1
• InChI: InChI=1S/C42H51N2O8P/c1-50-32-19-20-34-36(22-32)43-35(28-13-8-6-9-14-28)24-39(34)51-33-23-37-38(45)26-42(53(2,48)49)25-30(42)16-10-5-3-4-7-15-29(41(47)44(37)27-33)21-40(46)52-31-17-11-12-18-31/h6,8-10,13-14,16,19-20,22,24,29-31,33,37H,3-5,7,11-12,15,17-18,21,23,25-27H2,1-2H3,(H,48,49)/b16-10-/t29?,30?,33-,37?,42-/m1/s1
• InChIKey: RSBYTXVWHHOFFS-BYQYDDEXSA-N
• XLogP: 7.89
• TPSA: 132.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.85
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid?

The IUPAC name of [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid (CID 58215009) is [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid.

What is the SMILES notation for [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid?

The canonical SMILES for [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid is COc1ccc2c(O[C@@H]3CC4C(=O)C[C@]5(P(C)(=O)O)CC5/C=C\CCCCCC(CC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3ccccc3)nc2c1.

What is the InChIKey of [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid?

The InChIKey is RSBYTXVWHHOFFS-BYQYDDEXSA-N. The full InChI is InChI=1S/C42H51N2O8P/c1-50-32-19-20-34-36(22-32)43-35(28-13-8-6-9-14-28)24-39(34)51-33-23-37-38(45)26-42(53(2,48)49)25-30(42)16-10-5-3-4-7-15-29(41(47)44(37)27-33)21-40(46)52-31-17-11-12-18-31/h6,8-10,13-14,16,19-20,22,24,29-31,33,37H,3-5,7,11-12,15,17-18,21,23,25-27H2,1-2H3,(H,48,49)/b16-10-/t29?,30?,33-,37?,42-/m1/s1.

What are the key properties of [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid?

[(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid has a molecular weight of 742.85 g/mol, XLogP of 7.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,7Z,18R)-14-(2-cyclopentyloxy-2-oxoethyl)-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]-methylphosphinic acid is sourced from PubChem (CID 58215009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).