cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate

C37H44N6O7S — CID 89323698

About cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate

cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate (PubChem CID 89323698) has the molecular formula C37H44N6O7S and a molecular weight of 716.86 g/mol. Its IUPAC name is cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate.

Molecular Properties

• Compound Name: cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate
• PubChem CID: 89323698
• Molecular Formula: C37H44N6O7S
• Molecular Weight: 716.86 g/mol
• Exact Mass: 716.30
• IUPAC Name: cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate
• SMILES: C=C(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](Oc2cc(-c3csc(NC(=O)CC4CCCC4)n3)nc3c4c(ccc23)OCC4)C[C@H]1C(N)=O
• InChI: InChI=1S/C37H44N6O7S/c1-20(2)32(42-37(47)50-22-9-5-6-10-22)35(46)43-18-23(16-28(43)34(38)45)49-30-17-26(39-33-24(30)11-12-29-25(33)13-14-48-29)27-19-51-36(40-27)41-31(44)15-21-7-3-4-8-21/h11-12,17,19,21-23,28,32H,1,3-10,13-16,18H2,2H3,(H2,38,45)(H,42,47)(H,40,41,44)/t23-,28+,32+/m1/s1
• InChIKey: LWELAZVJWCIDRW-XJXRUALASA-N
• XLogP: 5.26
• TPSA: 175.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.86
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate?

The IUPAC name of cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate (CID 89323698) is cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate.

What is the SMILES notation for cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate?

The canonical SMILES for cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate is C=C(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](Oc2cc(-c3csc(NC(=O)CC4CCCC4)n3)nc3c4c(ccc23)OCC4)C[C@H]1C(N)=O.

What is the InChIKey of cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate?

The InChIKey is LWELAZVJWCIDRW-XJXRUALASA-N. The full InChI is InChI=1S/C37H44N6O7S/c1-20(2)32(42-37(47)50-22-9-5-6-10-22)35(46)43-18-23(16-28(43)34(38)45)49-30-17-26(39-33-24(30)11-12-29-25(33)13-14-48-29)27-19-51-36(40-27)41-31(44)15-21-7-3-4-8-21/h11-12,17,19,21-23,28,32H,1,3-10,13-16,18H2,2H3,(H2,38,45)(H,42,47)(H,40,41,44)/t23-,28+,32+/m1/s1.

What are the key properties of cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate?

cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate has a molecular weight of 716.86 g/mol, XLogP of 5.26, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[(2S)-1-[(2S,4R)-2-carbamoyl-4-[[2-[2-[(2-cyclopentylacetyl)amino]-1,3-thiazol-4-yl]-8,9-dihydrofuro[2,3-h]quinolin-4-yl]oxy]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate is sourced from PubChem (CID 89323698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).