cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride

C84H109ClN12O14S2 — CID 159293923

About cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride

cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride (PubChem CID 159293923) has the molecular formula C84H109ClN12O14S2 and a molecular weight of 1610.45 g/mol. Its IUPAC name is cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride.

Molecular Properties

• Compound Name: cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride
• PubChem CID: 159293923
• Molecular Formula: C84H109ClN12O14S2
• Molecular Weight: 1610.45 g/mol
• Exact Mass: 1608.73
• IUPAC Name: cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride
• SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(N)n3)nc3cc(C)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(C)=O.C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)(C)C)n3)nc3cc(C)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(C)=O.CC(C)(C)C(=O)Cl
• InChI: InChI=1S/C42H54N6O7S.C37H46N6O6S.C5H9ClO/c1-10-25-20-42(25,24(3)49)47-35(50)32-18-27(21-48(32)36(51)34(40(4,5)6)45-39(53)55-26-13-11-12-14-26)54-33-19-30(43-29-17-23(2)15-16-28(29)33)31-22-56-38(44-31)46-37(52)41(7,8)9;1-7-22-17-37(22,21(3)44)42-32(45)29-15-24(18-43(29)33(46)31(36(4,5)6)41-35(47)49-23-10-8-9-11-23)48-30-16-27(28-19-50-34(38)40-28)39-26-14-20(2)12-13-25(26)30;1-5(2,3)4(6)7/h10,15-17,19,22,25-27,32,34H,1,11-14,18,20-21H2,2-9H3,(H,45,53)(H,47,50)(H,44,46,52);7,12-14,16,19,22-24,29,31H,1,8-11,15,17-18H2,2-6H3,(H2,38,40)(H,41,47)(H,42,45);1-3H3/t25-,27-,32+,34-,42+;22-,24-,29+,31-,37+;/m11./s1
• InChIKey: LALZAEQFDWVFLY-RMOCEOEYSA-N
• XLogP: 13.86
• TPSA: 351.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1610.45
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride?

The IUPAC name of cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride (CID 159293923) is cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride.

What is the SMILES notation for cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride?

The canonical SMILES for cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride is C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(N)n3)nc3cc(C)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(C)=O.C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)(C)C)n3)nc3cc(C)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(C)=O.CC(C)(C)C(=O)Cl.

What is the InChIKey of cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride?

The InChIKey is LALZAEQFDWVFLY-RMOCEOEYSA-N. The full InChI is InChI=1S/C42H54N6O7S.C37H46N6O6S.C5H9ClO/c1-10-25-20-42(25,24(3)49)47-35(50)32-18-27(21-48(32)36(51)34(40(4,5)6)45-39(53)55-26-13-11-12-14-26)54-33-19-30(43-29-17-23(2)15-16-28(29)33)31-22-56-38(44-31)46-37(52)41(7,8)9;1-7-22-17-37(22,21(3)44)42-32(45)29-15-24(18-43(29)33(46)31(36(4,5)6)41-35(47)49-23-10-8-9-11-23)48-30-16-27(28-19-50-34(38)40-28)39-26-14-20(2)12-13-25(26)30;1-5(2,3)4(6)7/h10,15-17,19,22,25-27,32,34H,1,11-14,18,20-21H2,2-9H3,(H,45,53)(H,47,50)(H,44,46,52);7,12-14,16,19,22-24,29,31H,1,8-11,15,17-18H2,2-6H3,(H2,38,40)(H,41,47)(H,42,45);1-3H3/t25-,27-,32+,34-,42+;22-,24-,29+,31-,37+;/m11./s1.

What are the key properties of cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride?

cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride has a molecular weight of 1610.45 g/mol, XLogP of 13.86, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-(2-amino-1,3-thiazol-4-yl)-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-acetyl-2-ethenylcyclopropyl]carbamoyl]-4-[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]-7-methylquinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;2,2-dimethylpropanoyl chloride is sourced from PubChem (CID 159293923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).