2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

C108H98F5N11O26 — CID 157153384

About 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 157153384) has the molecular formula C108H98F5N11O26 and a molecular weight of 2061.01 g/mol. Its IUPAC name is 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

• Compound Name: 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
• PubChem CID: 157153384
• Molecular Formula: C108H98F5N11O26
• Molecular Weight: 2061.01 g/mol
• Exact Mass: 2059.66
• IUPAC Name: 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
• SMILES: CC(C)(C)C(=O)OCOC(=O)c1c(-c2cccn(COC(=O)C(C)(C)C)c2=O)c2c3occc3c(F)cc2n1Cc1cc(=O)n(COC(=O)C(C)(C)C)c2ccccc12.CC(C)(C)C(=O)OCn1c(=O)[nH]c(=O)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21.CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1F
• InChI: InChI=1S/C44H46FN3O11.C33H28F2N4O7.C31H24F2N4O8/c1-42(2,3)39(52)56-22-46-17-12-14-28(37(46)50)33-34-31(20-29(45)27-16-18-55-36(27)34)47(35(33)38(51)58-24-59-41(54)44(7,8)9)21-25-19-32(49)48(23-57-40(53)43(4,5)6)30-15-11-10-13-26(25)30;1-5-44-31(42)27-25(19-7-6-9-36-29(19)40)26-24(13-22(35)18-8-10-45-28(18)26)39(27)14-17-11-20-23(12-21(17)34)37-15-38(30(20)41)16-46-32(43)33(2,3)4;1-31(2,3)29(42)45-13-37-20-10-18(32)14(9-17(20)27(39)35-30(37)43)12-36-21-11-19(33)15-6-8-44-25(15)23(21)22(24(36)28(40)41)16-5-4-7-34-26(16)38/h10-20H,21-24H2,1-9H3;6-13,15H,5,14,16H2,1-4H3,(H,36,40);4-11H,12-13H2,1-3H3,(H,34,38)(H,40,41)(H,35,39,43)
• InChIKey: ALNFVNUNADKZIY-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 475.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2061.01
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

The IUPAC name of 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (CID 157153384) is 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

What is the SMILES notation for 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

The canonical SMILES for 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is CC(C)(C)C(=O)OCOC(=O)c1c(-c2cccn(COC(=O)C(C)(C)C)c2=O)c2c3occc3c(F)cc2n1Cc1cc(=O)n(COC(=O)C(C)(C)C)c2ccccc12.CC(C)(C)C(=O)OCn1c(=O)[nH]c(=O)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21.CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1F.

What is the InChIKey of 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

The InChIKey is ALNFVNUNADKZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46FN3O11.C33H28F2N4O7.C31H24F2N4O8/c1-42(2,3)39(52)56-22-46-17-12-14-28(37(46)50)33-34-31(20-29(45)27-16-18-55-36(27)34)47(35(33)38(51)58-24-59-41(54)44(7,8)9)21-25-19-32(49)48(23-57-40(53)43(4,5)6)30-15-11-10-13-26(25)30;1-5-44-31(42)27-25(19-7-6-9-36-29(19)40)26-24(13-22(35)18-8-10-45-28(18)26)39(27)14-17-11-20-23(12-21(17)34)37-15-38(30(20)41)16-46-32(43)33(2,3)4;1-31(2,3)29(42)45-13-37-20-10-18(32)14(9-17(20)27(39)35-30(37)43)12-36-21-11-19(33)15-6-8-44-25(15)23(21)22(24(36)28(40)41)16-5-4-7-34-26(16)38/h10-20H,21-24H2,1-9H3;6-13,15H,5,14,16H2,1-4H3,(H,36,40);4-11H,12-13H2,1-3H3,(H,34,38)(H,40,41)(H,35,39,43).

What are the key properties of 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?

2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 2061.01 g/mol, XLogP of 17.34, 23 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropanoyloxymethyl 8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-6-[[1-(2,2-dimethylpropanoyloxymethyl)-2-oxoquinolin-4-yl]methyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;6-[[1-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-2,4-dioxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;ethyl 6-[[3-(2,2-dimethylpropanoyloxymethyl)-7-fluoro-4-oxoquinazolin-6-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 157153384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).