15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

C116H132N16O21 — CID 157183421

About 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (PubChem CID 157183421) has the molecular formula C116H132N16O21 and a molecular weight of 2086.42 g/mol. Its IUPAC name is 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.

Molecular Properties

• Compound Name: 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
• PubChem CID: 157183421
• Molecular Formula: C116H132N16O21
• Molecular Weight: 2086.42 g/mol
• Exact Mass: 2084.98
• IUPAC Name: 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
• SMILES: CCCNCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.CCN(CC)Cc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.CN1CCN(Cc2cc3cc4c(cc3n2C)CCCc2c-4[nH]c(=O)c(C(=O)O)c2O)CC1.Cn1c(CN2CCCCC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN2CCOCC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C24H28N4O4.C24H27N3O4.C23H25N3O5.C23H27N3O4.C22H25N3O4/c1-26-6-8-28(9-7-26)13-16-10-15-11-18-14(12-19(15)27(16)2)4-3-5-17-21(18)25-23(30)20(22(17)29)24(31)32;1-26-16(13-27-8-3-2-4-9-27)10-15-11-18-14(12-19(15)26)6-5-7-17-21(18)25-23(29)20(22(17)28)24(30)31;1-25-15(12-26-5-7-31-8-6-26)9-14-10-17-13(11-18(14)25)3-2-4-16-20(17)24-22(28)19(21(16)27)23(29)30;1-4-26(5-2)12-15-9-14-10-17-13(11-18(14)25(15)3)7-6-8-16-20(17)24-22(28)19(21(16)27)23(29)30;1-3-7-23-11-14-8-13-9-16-12(10-17(13)25(14)2)5-4-6-15-19(16)24-21(27)18(20(15)26)22(28)29/h10-12H,3-9,13H2,1-2H3,(H,31,32)(H2,25,29,30);10-12H,2-9,13H2,1H3,(H,30,31)(H2,25,28,29);9-11H,2-8,12H2,1H3,(H,29,30)(H2,24,27,28);9-11H,4-8,12H2,1-3H3,(H,29,30)(H2,24,27,28);8-10,23H,3-7,11H2,1-2H3,(H,28,29)(H2,24,26,27)
• InChIKey: AOVFXYJVHDBISU-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 514.06 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2086.42
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

The IUPAC name of 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (CID 157183421) is 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.

What is the SMILES notation for 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

The canonical SMILES for 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is CCCNCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.CCN(CC)Cc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.CN1CCN(Cc2cc3cc4c(cc3n2C)CCCc2c-4[nH]c(=O)c(C(=O)O)c2O)CC1.Cn1c(CN2CCCCC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CN2CCOCC2)cc2cc3c(cc21)CCCc1c-3[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

The InChIKey is AOVFXYJVHDBISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4.C24H27N3O4.C23H25N3O5.C23H27N3O4.C22H25N3O4/c1-26-6-8-28(9-7-26)13-16-10-15-11-18-14(12-19(15)27(16)2)4-3-5-17-21(18)25-23(30)20(22(17)29)24(31)32;1-26-16(13-27-8-3-2-4-9-27)10-15-11-18-14(12-19(15)26)6-5-7-17-21(18)25-23(29)20(22(17)28)24(30)31;1-25-15(12-26-5-7-31-8-6-26)9-14-10-17-13(11-18(14)25)3-2-4-16-20(17)24-22(28)19(21(16)27)23(29)30;1-4-26(5-2)12-15-9-14-10-17-13(11-18(14)25(15)3)7-6-8-16-20(17)24-22(28)19(21(16)27)23(29)30;1-3-7-23-11-14-8-13-9-16-12(10-17(13)25(14)2)5-4-6-15-19(16)24-21(27)18(20(15)26)22(28)29/h10-12H,3-9,13H2,1-2H3,(H,31,32)(H2,25,29,30);10-12H,2-9,13H2,1H3,(H,30,31)(H2,25,28,29);9-11H,2-8,12H2,1H3,(H,29,30)(H2,24,27,28);9-11H,4-8,12H2,1-3H3,(H,29,30)(H2,24,27,28);8-10,23H,3-7,11H2,1-2H3,(H,28,29)(H2,24,26,27).

What are the key properties of 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid has a molecular weight of 2086.42 g/mol, XLogP of 14.04, 19 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(diethylaminomethyl)-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-15-(morpholin-4-ylmethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(piperidin-1-ylmethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;6-hydroxy-14-methyl-4-oxo-15-(propylaminomethyl)-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is sourced from PubChem (CID 157183421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).