cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C41H53N4O7P — CID 59127684

About cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 59127684) has the molecular formula C41H53N4O7P and a molecular weight of 744.87 g/mol. Its IUPAC name is cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 59127684
• Molecular Formula: C41H53N4O7P
• Molecular Weight: 744.87 g/mol
• Exact Mass: 744.37
• IUPAC Name: cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccc(C)cc3)nc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC1CCCC1)C(C)(C)C)P(C)(C)=O
• InChI: InChI=1S/C41H53N4O7P/c1-9-27-23-41(27,53(7,8)49)44-37(46)34-21-30(24-45(34)38(47)36(40(3,4)5)43-39(48)52-28-12-10-11-13-28)51-35-22-32(26-16-14-25(2)15-17-26)42-33-20-29(50-6)18-19-31(33)35/h9,14-20,22,27-28,30,34,36H,1,10-13,21,23-24H2,2-8H3,(H,43,48)(H,44,46)
• InChIKey: LNRYRBAJVQGSFM-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 136.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.87
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	2
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 cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 59127684) is cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccc(C)cc3)nc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC1CCCC1)C(C)(C)C)P(C)(C)=O.

What is the InChIKey of cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is LNRYRBAJVQGSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H53N4O7P/c1-9-27-23-41(27,53(7,8)49)44-37(46)34-21-30(24-45(34)38(47)36(40(3,4)5)43-39(48)52-28-12-10-11-13-28)51-35-22-32(26-16-14-25(2)15-17-26)42-33-20-29(50-6)18-19-31(33)35/h9,14-20,22,27-28,30,34,36H,1,10-13,21,23-24H2,2-8H3,(H,43,48)(H,44,46).

What are the key properties of cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 744.87 g/mol, XLogP of 7.29, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[1-[2-[(1-dimethylphosphoryl-2-ethenylcyclopropyl)carbamoyl]-4-[7-methoxy-2-(4-methylphenyl)quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 59127684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).