tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione

C158H161N9O30 — CID 157232318

IUPACtert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
SMILESCC(C)(C)OC(=O)Nc1ccc2c(ccc3occ([C@@H]4CCC(=O)CC4=O)c32)c1.CC(C)(C)OC(=O)Nc1ccc2c(ccc3occ([C@H]4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ([C@@H]4CCC(=O)CC4=O)c32)n1.CN(C)CCOc1ccc2c(ccc3occ([C@H]4CCC(=O)CC4=O)c32)n1.O=C1CC[C@@H](c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1.O=C1CC[C@H](c2coc3ccc4cc(CCN5CCOCC5)ccc4c23)C(=O)C1.O=C1CC[C@H](c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1
InChIInChI=1S/C24H25NO4.2C23H23NO5.2C23H23NO4.2C21H22N2O4/c26-18-3-5-20(22(27)14-18)21-15-29-23-6-2-17-13-16(1-4-19(17)24(21)23)7-8-25-9-11-28-12-10-25;2*1-23(2,3)29-22(27)24-14-5-7-16-13(10-14)4-9-20-21(16)18(12-28-20)17-8-6-15(25)11-19(17)26;2*25-17-3-5-19(21(26)12-17)20-14-28-22-6-2-16-11-15(1-4-18(16)23(20)22)13-24-7-9-27-10-8-24;2*1-23(2)9-10-26-20-8-5-15-17(22-20)6-7-19-21(15)16(12-27-19)14-4-3-13(24)11-18(14)25/h1-2,4,6,13,15,20H,3,5,7-12,14H2;2*4-5,7,9-10,12,17H,6,8,11H2,1-3H3,(H,24,27);2*1-2,4,6,11,14,19H,3,5,7-10,12-13H2;2*5-8,12,14H,3-4,9-11H2,1-2H3/t20-;2*17-;2*19-;2*14-/m1101010/s1
InChIKeyAUFVMPQSDGLBCJ-MEYYBRCDSA-N
MW2666.06 g/mol
LogP28.85
Rot. Bonds24

About tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione

tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione (PubChem CID 157232318) has the molecular formula C158H161N9O30 and a molecular weight of 2666.06 g/mol. Its IUPAC name is tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione.

Molecular Properties

Compound Nametert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
PubChem CID157232318
Molecular FormulaC158H161N9O30
Molecular Weight2666.06 g/mol
Exact Mass2664.13
IUPAC Nametert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
SMILESCC(C)(C)OC(=O)Nc1ccc2c(ccc3occ([C@@H]4CCC(=O)CC4=O)c32)c1.CC(C)(C)OC(=O)Nc1ccc2c(ccc3occ([C@H]4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ([C@@H]4CCC(=O)CC4=O)c32)n1.CN(C)CCOc1ccc2c(ccc3occ([C@H]4CCC(=O)CC4=O)c32)n1.O=C1CC[C@@H](c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1.O=C1CC[C@H](c2coc3ccc4cc(CCN5CCOCC5)ccc4c23)C(=O)C1.O=C1CC[C@H](c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1
InChIInChI=1S/C24H25NO4.2C23H23NO5.2C23H23NO4.2C21H22N2O4/c26-18-3-5-20(22(27)14-18)21-15-29-23-6-2-17-13-16(1-4-19(17)24(21)23)7-8-25-9-11-28-12-10-25;2*1-23(2,3)29-22(27)24-14-5-7-16-13(10-14)4-9-20-21(16)18(12-28-20)17-8-6-15(25)11-19(17)26;2*25-17-3-5-19(21(26)12-17)20-14-28-22-6-2-16-11-15(1-4-18(16)23(20)22)13-24-7-9-27-10-8-24;2*1-23(2)9-10-26-20-8-5-15-17(22-20)6-7-19-21(15)16(12-27-19)14-4-3-13(24)11-18(14)25/h1-2,4,6,13,15,20H,3,5,7-12,14H2;2*4-5,7,9-10,12,17H,6,8,11H2,1-3H3,(H,24,27);2*1-2,4,6,11,14,19H,3,5,7-10,12-13H2;2*5-8,12,14H,3-4,9-11H2,1-2H3/t20-;2*17-;2*19-;2*14-/m1101010/s1
InChIKeyAUFVMPQSDGLBCJ-MEYYBRCDSA-N
XLogP28.85
TPSA495.75 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002666.06
LogP ≤ 528.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione?
The IUPAC name of tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione (CID 157232318) is tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione.
What is the SMILES notation for tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione?
The canonical SMILES for tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione is CC(C)(C)OC(=O)Nc1ccc2c(ccc3occ([C@@H]4CCC(=O)CC4=O)c32)c1.CC(C)(C)OC(=O)Nc1ccc2c(ccc3occ([C@H]4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ([C@@H]4CCC(=O)CC4=O)c32)n1.CN(C)CCOc1ccc2c(ccc3occ([C@H]4CCC(=O)CC4=O)c32)n1.O=C1CC[C@@H](c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1.O=C1CC[C@H](c2coc3ccc4cc(CCN5CCOCC5)ccc4c23)C(=O)C1.O=C1CC[C@H](c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1.
What is the InChIKey of tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione?
The InChIKey is AUFVMPQSDGLBCJ-MEYYBRCDSA-N. The full InChI is InChI=1S/C24H25NO4.2C23H23NO5.2C23H23NO4.2C21H22N2O4/c26-18-3-5-20(22(27)14-18)21-15-29-23-6-2-17-13-16(1-4-19(17)24(21)23)7-8-25-9-11-28-12-10-25;2*1-23(2,3)29-22(27)24-14-5-7-16-13(10-14)4-9-20-21(16)18(12-28-20)17-8-6-15(25)11-19(17)26;2*25-17-3-5-19(21(26)12-17)20-14-28-22-6-2-16-11-15(1-4-18(16)23(20)22)13-24-7-9-27-10-8-24;2*1-23(2)9-10-26-20-8-5-15-17(22-20)6-7-19-21(15)16(12-27-19)14-4-3-13(24)11-18(14)25/h1-2,4,6,13,15,20H,3,5,7-12,14H2;2*4-5,7,9-10,12,17H,6,8,11H2,1-3H3,(H,24,27);2*1-2,4,6,11,14,19H,3,5,7-10,12-13H2;2*5-8,12,14H,3-4,9-11H2,1-2H3/t20-;2*17-;2*19-;2*14-/m1101010/s1.
What are the key properties of tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione?
tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione has a molecular weight of 2666.06 g/mol, XLogP of 28.85, 24 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1R)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;tert-butyl N-[1-[(1S)-2,4-dioxocyclohexyl]benzo[e][1]benzofuran-7-yl]carbamate;(4R)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 157232318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).