tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione

C134H134N6O25 — CID 158669989

IUPACtert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
SMILESCC(C)(C)OC(=O)Nc1ccc2c(ccc3occ(C4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ(C4CCC(=O)CC4=O)c32)n1.COCc1cccc2c1ccc1occ(C3CCC(=O)CC3=O)c12.O=C1CCC(c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)C1.O=C1CCC(c2coc3ccc4cc(CCN5CCOCC5)ccc4c23)C(=O)C1.O=C1CCC(c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1
InChIInChI=1S/C24H25NO4.C23H23NO5.2C23H23NO4.C21H22N2O4.C20H18O4/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;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;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;25-16-4-5-18(21(26)12-16)20-14-28-22-7-6-17-15(2-1-3-19(17)23(20)22)13-24-8-10-27-11-9-24;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;1-23-10-12-3-2-4-16-14(12)7-8-19-20(16)17(11-24-19)15-6-5-13(21)9-18(15)22/h1-2,4,6,13,15,20H,3,5,7-12,14H2;4-5,7,9-10,12,17H,6,8,11H2,1-3H3,(H,24,27);1-2,4,6,11,14,19H,3,5,7-10,12-13H2;1-3,6-7,14,18H,4-5,8-13H2;5-8,12,14H,3-4,9-11H2,1-2H3;2-4,7-8,11,15H,5-6,9-10H2,1H3
InChIKeyIDVGQGZIQWBACB-UHFFFAOYSA-N
MW2228.56 g/mol
LogP24.32
Rot. Bonds20

About tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione

tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione (PubChem CID 158669989) has the molecular formula C134H134N6O25 and a molecular weight of 2228.56 g/mol. Its IUPAC name is tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione.

Molecular Properties

Compound Nametert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
PubChem CID158669989
Molecular FormulaC134H134N6O25
Molecular Weight2228.56 g/mol
Exact Mass2226.94
IUPAC Nametert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
SMILESCC(C)(C)OC(=O)Nc1ccc2c(ccc3occ(C4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ(C4CCC(=O)CC4=O)c32)n1.COCc1cccc2c1ccc1occ(C3CCC(=O)CC3=O)c12.O=C1CCC(c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)C1.O=C1CCC(c2coc3ccc4cc(CCN5CCOCC5)ccc4c23)C(=O)C1.O=C1CCC(c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1
InChIInChI=1S/C24H25NO4.C23H23NO5.2C23H23NO4.C21H22N2O4.C20H18O4/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;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;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;25-16-4-5-18(21(26)12-16)20-14-28-22-7-6-17-15(2-1-3-19(17)23(20)22)13-24-8-10-27-11-9-24;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;1-23-10-12-3-2-4-16-14(12)7-8-19-20(16)17(11-24-19)15-6-5-13(21)9-18(15)22/h1-2,4,6,13,15,20H,3,5,7-12,14H2;4-5,7,9-10,12,17H,6,8,11H2,1-3H3,(H,24,27);1-2,4,6,11,14,19H,3,5,7-10,12-13H2;1-3,6-7,14,18H,4-5,8-13H2;5-8,12,14H,3-4,9-11H2,1-2H3;2-4,7-8,11,15H,5-6,9-10H2,1H3
InChIKeyIDVGQGZIQWBACB-UHFFFAOYSA-N
XLogP24.32
TPSA394.01 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002228.56
LogP ≤ 524.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione with MolForge

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Related Compounds

CID 159846622
CID 159846622
CID 147309521
CID 147309521
CID 148557601
CID 148557601
CID 148711576
CID 148711576
CID 152935502
CID 152935502
CID 157101508
CID 157101508
CID 157232318
CID 157232318
CID 157325135
CID 157325135
CID 157325136
CID 157325136
CID 157325137
CID 157325137
CID 157375012
CID 157375012
CID 157492459
CID 157492459

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione?
The IUPAC name of tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione (CID 158669989) is tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;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-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione?
The canonical SMILES for tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione is CC(C)(C)OC(=O)Nc1ccc2c(ccc3occ(C4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ(C4CCC(=O)CC4=O)c32)n1.COCc1cccc2c1ccc1occ(C3CCC(=O)CC3=O)c12.O=C1CCC(c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)C1.O=C1CCC(c2coc3ccc4cc(CCN5CCOCC5)ccc4c23)C(=O)C1.O=C1CCC(c2coc3ccc4cc(CN5CCOCC5)ccc4c23)C(=O)C1.
What is the InChIKey of tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione?
The InChIKey is IDVGQGZIQWBACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4.C23H23NO5.2C23H23NO4.C21H22N2O4.C20H18O4/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;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;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;25-16-4-5-18(21(26)12-16)20-14-28-22-7-6-17-15(2-1-3-19(17)23(20)22)13-24-8-10-27-11-9-24;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;1-23-10-12-3-2-4-16-14(12)7-8-19-20(16)17(11-24-19)15-6-5-13(21)9-18(15)22/h1-2,4,6,13,15,20H,3,5,7-12,14H2;4-5,7,9-10,12,17H,6,8,11H2,1-3H3,(H,24,27);1-2,4,6,11,14,19H,3,5,7-10,12-13H2;1-3,6-7,14,18H,4-5,8-13H2;5-8,12,14H,3-4,9-11H2,1-2H3;2-4,7-8,11,15H,5-6,9-10H2,1H3.
What are the key properties of tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione?
tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione has a molecular weight of 2228.56 g/mol, XLogP of 24.32, 20 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,4-dioxocyclohexyl)benzo[e][1]benzofuran-7-yl]carbamate;4-[7-[2-(dimethylamino)ethoxy]furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione;4-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 158669989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).