2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate

C155H125F6N15O27 — CID 158907051

About 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate

2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate (PubChem CID 158907051) has the molecular formula C155H125F6N15O27 and a molecular weight of 2743.77 g/mol. Its IUPAC name is 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate.

Molecular Properties

• Compound Name: 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate
• PubChem CID: 158907051
• Molecular Formula: C155H125F6N15O27
• Molecular Weight: 2743.77 g/mol
• Exact Mass: 2741.88
• IUPAC Name: 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate
• SMILES: C=CCc1cc2[nH]ncc2cc1Cn1c(C(=O)OCCN(CC=C)C(=O)OC(C)(C)C)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21.CC(C)(C)C(=O)OCOC(=O)c1c(-c2cccn(COC(=O)C(C)(C)C)c2=O)c2c3occc3c(F)cc2n1Cc1cc(N)nc2ccccc12.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(F)cc2cccnc12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc(=O)[nH]c3ccccc23)c2cc(F)c3c(c12)OCC3.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2ccc3c(c2)CC=C3)c2cc(F)c3ccoc3c12
• InChI: InChI=1S/C38H37FN4O8.C37H36FN5O6.C27H19FN2O5.C27H18FNO4.C26H15F2N3O4/c1-37(2,3)35(46)49-19-42-14-9-11-24(33(42)44)29-30-27(17-25(39)23-13-15-48-32(23)30)43(31(29)34(45)50-20-51-36(47)38(4,5)6)18-21-16-28(40)41-26-12-8-7-10-22(21)26;1-6-9-22-18-28-23(20-40-41-28)17-24(22)21-43-29-19-27(38)25-11-15-47-33(25)31(29)30(26-10-8-12-39-34(26)44)32(43)35(45)48-16-14-42(13-7-2)36(46)49-37(3,4)5;28-18-12-20-24(26-16(18)9-10-35-26)23(17-6-2-4-8-21(17)31)25(27(33)34)30(20)13-14-11-22(32)29-19-7-3-1-5-15(14)19;28-20-13-21-24(26-18(20)10-11-33-26)23(19-6-1-2-7-22(19)30)25(27(31)32)29(21)14-15-8-9-16-4-3-5-17(16)12-15;27-15-9-13-3-1-6-29-22(13)14(10-15)12-31-19-11-18(28)16-5-8-35-24(16)21(19)20(23(31)26(33)34)17-4-2-7-30-25(17)32/h7-17H,18-20H2,1-6H3,(H2,40,41);6-8,10-12,15,17-20H,1-2,9,13-14,16,21H2,3-5H3,(H,39,44)(H,40,41);1-7,11-12H,8-10,13H2,(H,29,32)(H,33,34);1-4,6,8-13H,5,7,14H2,(H,31,32);1-11H,12H2,(H,30,32)(H,33,34)
• InChIKey: JGECBSVOADYTEO-UHFFFAOYSA-N
• XLogP: 29.19
• TPSA: 568.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2743.77
LogP ≤ 5	29.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate?

The IUPAC name of 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate (CID 158907051) is 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate.

What is the SMILES notation for 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate?

The canonical SMILES for 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate is C=CCc1cc2[nH]ncc2cc1Cn1c(C(=O)OCCN(CC=C)C(=O)OC(C)(C)C)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21.CC(C)(C)C(=O)OCOC(=O)c1c(-c2cccn(COC(=O)C(C)(C)C)c2=O)c2c3occc3c(F)cc2n1Cc1cc(N)nc2ccccc12.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(F)cc2cccnc12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc(=O)[nH]c3ccccc23)c2cc(F)c3c(c12)OCC3.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2ccc3c(c2)CC=C3)c2cc(F)c3ccoc3c12.

What is the InChIKey of 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate?

The InChIKey is JGECBSVOADYTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37FN4O8.C37H36FN5O6.C27H19FN2O5.C27H18FNO4.C26H15F2N3O4/c1-37(2,3)35(46)49-19-42-14-9-11-24(33(42)44)29-30-27(17-25(39)23-13-15-48-32(23)30)43(31(29)34(45)50-20-51-36(47)38(4,5)6)18-21-16-28(40)41-26-12-8-7-10-22(21)26;1-6-9-22-18-28-23(20-40-41-28)17-24(22)21-43-29-19-27(38)25-11-15-47-33(25)31(29)30(26-10-8-12-39-34(26)44)32(43)35(45)48-16-14-42(13-7-2)36(46)49-37(3,4)5;28-18-12-20-24(26-16(18)9-10-35-26)23(17-6-2-4-8-21(17)31)25(27(33)34)30(20)13-14-11-22(32)29-19-7-3-1-5-15(14)19;28-20-13-21-24(26-18(20)10-11-33-26)23(19-6-1-2-7-22(19)30)25(27(31)32)29(21)14-15-8-9-16-4-3-5-17(16)12-15;27-15-9-13-3-1-6-29-22(13)14(10-15)12-31-19-11-18(28)16-5-8-35-24(16)21(19)20(23(31)26(33)34)17-4-2-7-30-25(17)32/h7-17H,18-20H2,1-6H3,(H2,40,41);6-8,10-12,15,17-20H,1-2,9,13-14,16,21H2,3-5H3,(H,39,44)(H,40,41);1-7,11-12H,8-10,13H2,(H,29,32)(H,33,34);1-4,6,8-13H,5,7,14H2,(H,31,32);1-11H,12H2,(H,30,32)(H,33,34).

What are the key properties of 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate?

2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate has a molecular weight of 2743.77 g/mol, XLogP of 29.19, 31 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropanoyloxymethyl 6-[(2-aminoquinolin-4-yl)methyl]-8-[1-(2,2-dimethylpropanoyloxymethyl)-2-oxo-3-pyridinyl]-4-fluorofuro[2,3-e]indole-7-carboxylate;4-fluoro-6-[(6-fluoroquinolin-8-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-(3H-inden-5-ylmethyl)-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)-6-[(2-oxo-1H-quinolin-4-yl)methyl]-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 158907051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).