13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate

C86H88N10O15 — CID 118947456

About 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate

13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate (PubChem CID 118947456) has the molecular formula C86H88N10O15 and a molecular weight of 1501.70 g/mol. Its IUPAC name is 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate.

Molecular Properties

• Compound Name: 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate
• PubChem CID: 118947456
• Molecular Formula: C86H88N10O15
• Molecular Weight: 1501.70 g/mol
• Exact Mass: 1500.64
• IUPAC Name: 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate
• SMILES: CN(C)c1ccc2c(c1)CCCCc1c-2[nH]c(=O)c(C(=O)Oc2c3c([nH]c(=O)c2C(=O)O)-c2ccc(N(C)C)cc2CCC3)c1O.CN(C)c1ccc2c(c1)CCCCc1cc(C(=O)OC(=O)c3cc4c([nH]c3=O)-c3ccc(N(C)C)cc3CC4)c(=O)[nH]c1-2.CN(C)c1ccc2c(c1)CCCc1cc(C(=O)O)c(=O)[nH]c1-2
• InChI: InChI=1S/C35H36N4O7.C34H34N4O5.C17H18N2O3/c1-38(2)20-12-14-22-18(16-20)8-5-6-10-24-28(22)36-32(41)26(30(24)40)35(45)46-31-25-11-7-9-19-17-21(39(3)4)13-15-23(19)29(25)37-33(42)27(31)34(43)44;1-37(2)23-11-13-25-19(15-23)7-5-6-8-21-17-27(31(39)35-29(21)25)33(41)43-34(42)28-18-22-10-9-20-16-24(38(3)4)12-14-26(20)30(22)36-32(28)40;1-19(2)12-6-7-13-10(8-12)4-3-5-11-9-14(17(21)22)16(20)18-15(11)13/h12-17H,5-11H2,1-4H3,(H,37,42)(H,43,44)(H2,36,40,41);11-18H,5-10H2,1-4H3,(H,35,39)(H,36,40);6-9H,3-5H2,1-2H3,(H,18,20)(H,21,22)
• InChIKey: GDXCTYUDMSBINC-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 345.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1501.70
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate?

The IUPAC name of 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate (CID 118947456) is 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate.

What is the SMILES notation for 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate?

The canonical SMILES for 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate is CN(C)c1ccc2c(c1)CCCCc1c-2[nH]c(=O)c(C(=O)Oc2c3c([nH]c(=O)c2C(=O)O)-c2ccc(N(C)C)cc2CCC3)c1O.CN(C)c1ccc2c(c1)CCCCc1cc(C(=O)OC(=O)c3cc4c([nH]c3=O)-c3ccc(N(C)C)cc3CC4)c(=O)[nH]c1-2.CN(C)c1ccc2c(c1)CCCc1cc(C(=O)O)c(=O)[nH]c1-2.

What is the InChIKey of 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate?

The InChIKey is GDXCTYUDMSBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O7.C34H34N4O5.C17H18N2O3/c1-38(2)20-12-14-22-18(16-20)8-5-6-10-24-28(22)36-32(41)26(30(24)40)35(45)46-31-25-11-7-9-19-17-21(39(3)4)13-15-23(19)29(25)37-33(42)27(31)34(43)44;1-37(2)23-11-13-25-19(15-23)7-5-6-8-21-17-27(31(39)35-29(21)25)33(41)43-34(42)28-18-22-10-9-20-16-24(38(3)4)12-14-26(20)30(22)36-32(28)40;1-19(2)12-6-7-13-10(8-12)4-3-5-11-9-14(17(21)22)16(20)18-15(11)13/h12-17H,5-11H2,1-4H3,(H,37,42)(H,43,44)(H2,36,40,41);11-18H,5-10H2,1-4H3,(H,35,39)(H,36,40);6-9H,3-5H2,1-2H3,(H,18,20)(H,21,22).

What are the key properties of 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate?

13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate has a molecular weight of 1501.70 g/mol, XLogP of 11.32, 11 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(dimethylamino)-6-[14-(dimethylamino)-6-hydroxy-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carbonyl]oxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid;[8-(dimethylamino)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonyl] 14-(dimethylamino)-4-oxo-3-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,13,15-pentaene-5-carboxylate is sourced from PubChem (CID 118947456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).