12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol

C85H70N10O16 — CID 157126138

About 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol

12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol (PubChem CID 157126138) has the molecular formula C85H70N10O16 and a molecular weight of 1487.55 g/mol. Its IUPAC name is 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol.

Molecular Properties

• Compound Name: 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol
• PubChem CID: 157126138
• Molecular Formula: C85H70N10O16
• Molecular Weight: 1487.55 g/mol
• Exact Mass: 1486.50
• IUPAC Name: 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol
• SMILES: COc1cc2[nH]c3c(c2cc1OC)CCNC3C.COc1cc2c(cc1O)c1ccnc3ccc(=O)n2c31.COc1cc2c3ccnc4ccc(=O)n(c2cc1OC)c43.Cc1cc(O)c2[nH]c3cc(O)c(O)cc3c2c1.Cc1ccc2[nH]c3cc(O)c(O)cc3c2c1.O=c1cc2c(cc1O)c1cc[nH]c3ccc(=O)n2c31
• InChI: InChI=1S/C16H12N2O3.C15H10N2O3.C14H8N2O3.C14H18N2O2.C13H11NO3.C13H11NO2/c1-20-13-7-10-9-5-6-17-11-3-4-15(19)18(16(9)11)12(10)8-14(13)21-2;1-20-13-7-11-9(6-12(13)18)8-4-5-16-10-2-3-14(19)17(11)15(8)10;17-11-5-8-7-3-4-15-9-1-2-13(19)16(14(7)9)10(8)6-12(11)18;1-8-14-9(4-5-15-8)10-6-12(17-2)13(18-3)7-11(10)16-14;1-6-2-8-7-4-10(15)11(16)5-9(7)14-13(8)12(17)3-6;1-7-2-3-10-8(4-7)9-5-12(15)13(16)6-11(9)14-10/h3-8H,1-2H3;2-7,18H,1H3;1-6,15,17H;6-8,15-16H,4-5H2,1-3H3;2-5,14-17H,1H3;2-6,14-16H,1H3
• InChIKey: MNGRVLXKLHQABC-UHFFFAOYSA-N
• XLogP: 14.23
• TPSA: 370.24 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 5
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1487.55
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol?

The IUPAC name of 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol (CID 157126138) is 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol.

What is the SMILES notation for 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol?

The canonical SMILES for 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol is COc1cc2[nH]c3c(c2cc1OC)CCNC3C.COc1cc2c(cc1O)c1ccnc3ccc(=O)n2c31.COc1cc2c3ccnc4ccc(=O)n(c2cc1OC)c43.Cc1cc(O)c2[nH]c3cc(O)c(O)cc3c2c1.Cc1ccc2[nH]c3cc(O)c(O)cc3c2c1.O=c1cc2c(cc1O)c1cc[nH]c3ccc(=O)n2c31.

What is the InChIKey of 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol?

The InChIKey is MNGRVLXKLHQABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3.C15H10N2O3.C14H8N2O3.C14H18N2O2.C13H11NO3.C13H11NO2/c1-20-13-7-10-9-5-6-17-11-3-4-15(19)18(16(9)11)12(10)8-14(13)21-2;1-20-13-7-11-9(6-12(13)18)8-4-5-16-10-2-3-14(19)17(11)15(8)10;17-11-5-8-7-3-4-15-9-1-2-13(19)16(14(7)9)10(8)6-12(11)18;1-8-14-9(4-5-15-8)10-6-12(17-2)13(18-3)7-11(10)16-14;1-6-2-8-7-4-10(15)11(16)5-9(7)14-13(8)12(17)3-6;1-7-2-3-10-8(4-7)9-5-12(15)13(16)6-11(9)14-10/h3-8H,1-2H3;2-7,18H,1H3;1-6,15,17H;6-8,15-16H,4-5H2,1-3H3;2-5,14-17H,1H3;2-6,14-16H,1H3.

What are the key properties of 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol?

12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol has a molecular weight of 1487.55 g/mol, XLogP of 14.23, 5 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6,7-dimethoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione;12-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one;6-methyl-9H-carbazole-2,3-diol;3-methyl-9H-carbazole-1,6,7-triol is sourced from PubChem (CID 157126138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).