(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate

C34H38F2N8O10 — CID 174296231

About (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate (PubChem CID 174296231) has the molecular formula C34H38F2N8O10 and a molecular weight of 756.72 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate
• PubChem CID: 174296231
• Molecular Formula: C34H38F2N8O10
• Molecular Weight: 756.72 g/mol
• Exact Mass: 756.27
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate
• SMILES: N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2c(NC(=O)CCC(=O)NCCOCCNC(=O)CCCC(=O)ON3C(=O)CCC3=O)cccc12
• InChI: InChI=1S/C34H38F2N8O10/c35-34(36)17-21(18-37)43(20-34)30(50)19-41-33(52)23-11-12-40-32-22(23)3-1-4-24(32)42-27(47)8-7-26(46)39-14-16-53-15-13-38-25(45)5-2-6-31(51)54-44-28(48)9-10-29(44)49/h1,3-4,11-12,21H,2,5-10,13-17,19-20H2,(H,38,45)(H,39,46)(H,41,52)(H,42,47)/t21-/m0/s1
• InChIKey: TZBCREFJIPSMRN-NRFANRHFSA-N
• XLogP: 0.47
• TPSA: 246.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.72
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate (CID 174296231) is (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate is N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2c(NC(=O)CCC(=O)NCCOCCNC(=O)CCCC(=O)ON3C(=O)CCC3=O)cccc12.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate?

The InChIKey is TZBCREFJIPSMRN-NRFANRHFSA-N. The full InChI is InChI=1S/C34H38F2N8O10/c35-34(36)17-21(18-37)43(20-34)30(50)19-41-33(52)23-11-12-40-32-22(23)3-1-4-24(32)42-27(47)8-7-26(46)39-14-16-53-15-13-38-25(45)5-2-6-31(51)54-44-28(48)9-10-29(44)49/h1,3-4,11-12,21H,2,5-10,13-17,19-20H2,(H,38,45)(H,39,46)(H,41,52)(H,42,47)/t21-/m0/s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate?

(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate has a molecular weight of 756.72 g/mol, XLogP of 0.47, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[[4-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-8-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-5-oxopentanoate is sourced from PubChem (CID 174296231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).