14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one

C139H121ClN14O21 — CID 158096936

IUPAC14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one
SMILESC=C1CC(=O)c2c1c1c(c3[nH]c4cccc(OCCN5CCOCC5)c4c23)CCC1.CCOCCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.CCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.CN(C)c1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.COCCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.O=C1CC(=O)c2c1c1c(c3[nH]c4cccc(O)c4c23)CCC1.O=C1CC(=O)c2c1c1c(c3[nH]c4nccc(Cl)c4c23)CCC1
InChIInChI=1S/C25H26N2O3.C21H20N2O4.C20H18N2O4.C19H17N3O2.C19H16N2O3.C18H13NO3.C17H11ClN2O2/c1-15-14-19(28)23-21(15)16-4-2-5-17(16)25-24(23)22-18(26-25)6-3-7-20(22)30-13-10-27-8-11-29-12-9-27;1-2-26-8-9-27-15-6-7-22-21-18(15)19-17-14(25)10-13(24)16(17)11-4-3-5-12(11)20(19)23-21;1-25-7-8-26-14-5-6-21-20-17(14)18-16-13(24)9-12(23)15(16)10-3-2-4-11(10)19(18)22-20;1-22(2)11-6-7-20-19-15(11)17-16-13(24)8-12(23)14(16)9-4-3-5-10(9)18(17)21-19;1-2-24-13-6-7-20-19-16(13)17-15-12(23)8-11(22)14(15)9-4-3-5-10(9)18(17)21-19;20-11-6-2-5-10-15(11)17-16-13(22)7-12(21)14(16)8-3-1-4-9(8)18(17)19-10;18-9-4-5-19-17-13(9)15-14-11(22)6-10(21)12(14)7-2-1-3-8(7)16(15)20-17/h3,6-7,26H,1-2,4-5,8-14H2;6-7H,2-5,8-10H2,1H3,(H,22,23);5-6H,2-4,7-9H2,1H3,(H,21,22);6-7H,3-5,8H2,1-2H3,(H,20,21);6-7H,2-5,8H2,1H3,(H,20,21);2,5-6,19-20H,1,3-4,7H2;4-5H,1-3,6H2,(H,19,20)
InChIKeyFOTYHIVMZOWMSC-UHFFFAOYSA-N
MW2359.03 g/mol
LogP23.83
Rot. Bonds16

About 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one

14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one (PubChem CID 158096936) has the molecular formula C139H121ClN14O21 and a molecular weight of 2359.03 g/mol. Its IUPAC name is 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one.

Molecular Properties

Compound Name14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one
PubChem CID158096936
Molecular FormulaC139H121ClN14O21
Molecular Weight2359.03 g/mol
Exact Mass2356.85
IUPAC Name14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one
SMILESC=C1CC(=O)c2c1c1c(c3[nH]c4cccc(OCCN5CCOCC5)c4c23)CCC1.CCOCCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.CCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.CN(C)c1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.COCCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.O=C1CC(=O)c2c1c1c(c3[nH]c4cccc(O)c4c23)CCC1.O=C1CC(=O)c2c1c1c(c3[nH]c4nccc(Cl)c4c23)CCC1
InChIInChI=1S/C25H26N2O3.C21H20N2O4.C20H18N2O4.C19H17N3O2.C19H16N2O3.C18H13NO3.C17H11ClN2O2/c1-15-14-19(28)23-21(15)16-4-2-5-17(16)25-24(23)22-18(26-25)6-3-7-20(22)30-13-10-27-8-11-29-12-9-27;1-2-26-8-9-27-15-6-7-22-21-18(15)19-17-14(25)10-13(24)16(17)11-4-3-5-12(11)20(19)23-21;1-25-7-8-26-14-5-6-21-20-17(14)18-16-13(24)9-12(23)15(16)10-3-2-4-11(10)19(18)22-20;1-22(2)11-6-7-20-19-15(11)17-16-13(24)8-12(23)14(16)9-4-3-5-10(9)18(17)21-19;1-2-24-13-6-7-20-19-16(13)17-15-12(23)8-11(22)14(15)9-4-3-5-10(9)18(17)21-19;20-11-6-2-5-10-15(11)17-16-13(22)7-12(21)14(16)8-3-1-4-9(8)18(17)19-10;18-9-4-5-19-17-13(9)15-14-11(22)6-10(21)12(14)7-2-1-3-8(7)16(15)20-17/h3,6-7,26H,1-2,4-5,8-14H2;6-7H,2-5,8-10H2,1H3,(H,22,23);5-6H,2-4,7-9H2,1H3,(H,21,22);6-7H,3-5,8H2,1-2H3,(H,20,21);6-7H,2-5,8H2,1H3,(H,20,21);2,5-6,19-20H,1,3-4,7H2;4-5H,1-3,6H2,(H,19,20)
InChIKeyFOTYHIVMZOWMSC-UHFFFAOYSA-N
XLogP23.83
TPSA488.21 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms175
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002359.03
LogP ≤ 523.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one?
The IUPAC name of 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one (CID 158096936) is 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one.
What is the SMILES notation for 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one?
The canonical SMILES for 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one is C=C1CC(=O)c2c1c1c(c3[nH]c4cccc(OCCN5CCOCC5)c4c23)CCC1.CCOCCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.CCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.CN(C)c1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.COCCOc1ccnc2[nH]c3c4c(c5c(c3c12)C(=O)CC5=O)CCC4.O=C1CC(=O)c2c1c1c(c3[nH]c4cccc(O)c4c23)CCC1.O=C1CC(=O)c2c1c1c(c3[nH]c4nccc(Cl)c4c23)CCC1.
What is the InChIKey of 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one?
The InChIKey is FOTYHIVMZOWMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3.C21H20N2O4.C20H18N2O4.C19H17N3O2.C19H16N2O3.C18H13NO3.C17H11ClN2O2/c1-15-14-19(28)23-21(15)16-4-2-5-17(16)25-24(23)22-18(26-25)6-3-7-20(22)30-13-10-27-8-11-29-12-9-27;1-2-26-8-9-27-15-6-7-22-21-18(15)19-17-14(25)10-13(24)16(17)11-4-3-5-12(11)20(19)23-21;1-25-7-8-26-14-5-6-21-20-17(14)18-16-13(24)9-12(23)15(16)10-3-2-4-11(10)19(18)22-20;1-22(2)11-6-7-20-19-15(11)17-16-13(24)8-12(23)14(16)9-4-3-5-10(9)18(17)21-19;1-2-24-13-6-7-20-19-16(13)17-15-12(23)8-11(22)14(15)9-4-3-5-10(9)18(17)21-19;20-11-6-2-5-10-15(11)17-16-13(22)7-12(21)14(16)8-3-1-4-9(8)18(17)19-10;18-9-4-5-19-17-13(9)15-14-11(22)6-10(21)12(14)7-2-1-3-8(7)16(15)20-17/h3,6-7,26H,1-2,4-5,8-14H2;6-7H,2-5,8-10H2,1H3,(H,22,23);5-6H,2-4,7-9H2,1H3,(H,21,22);6-7H,3-5,8H2,1-2H3,(H,20,21);6-7H,2-5,8H2,1H3,(H,20,21);2,5-6,19-20H,1,3-4,7H2;4-5H,1-3,6H2,(H,19,20).
What are the key properties of 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one?
14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one has a molecular weight of 2359.03 g/mol, XLogP of 23.83, 16 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one is sourced from PubChem (CID 158096936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).