ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate

C34H45FN4O7 — CID 123263268

About ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate

ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate (PubChem CID 123263268) has the molecular formula C34H45FN4O7 and a molecular weight of 640.75 g/mol. Its IUPAC name is ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate.

Molecular Properties

• Compound Name: ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate
• PubChem CID: 123263268
• Molecular Formula: C34H45FN4O7
• Molecular Weight: 640.75 g/mol
• Exact Mass: 640.33
• IUPAC Name: ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate
• SMILES: C=CCC(C)(NC(=O)C1CC2(CCc3c(c(C)nc4c(F)cccc34)O2)CN1C(=O)C(CC)NC(=O)OC(C)(C)C)C(=O)OCC
• InChI: InChI=1S/C34H45FN4O7/c1-9-16-33(8,30(42)44-11-3)38-28(40)25-18-34(19-39(25)29(41)24(10-2)37-31(43)46-32(5,6)7)17-15-22-21-13-12-14-23(35)26(21)36-20(4)27(22)45-34/h9,12-14,24-25H,1,10-11,15-19H2,2-8H3,(H,37,43)(H,38,40)
• InChIKey: CJHVPIQCMUFDHK-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 136.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.75
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate?

The IUPAC name of ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate (CID 123263268) is ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate.

What is the SMILES notation for ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate?

The canonical SMILES for ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate is C=CCC(C)(NC(=O)C1CC2(CCc3c(c(C)nc4c(F)cccc34)O2)CN1C(=O)C(CC)NC(=O)OC(C)(C)C)C(=O)OCC.

What is the InChIKey of ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate?

The InChIKey is CJHVPIQCMUFDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45FN4O7/c1-9-16-33(8,30(42)44-11-3)38-28(40)25-18-34(19-39(25)29(41)24(10-2)37-31(43)46-32(5,6)7)17-15-22-21-13-12-14-23(35)26(21)36-20(4)27(22)45-34/h9,12-14,24-25H,1,10-11,15-19H2,2-8H3,(H,37,43)(H,38,40).

What are the key properties of ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate?

ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate has a molecular weight of 640.75 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[7-fluoro-5-methyl-1'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-2-methylpent-4-enoate is sourced from PubChem (CID 123263268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).