15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

C90H92N12O22 — CID 160509768

About 15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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 160509768) has the molecular formula C90H92N12O22 and a molecular weight of 1693.79 g/mol. Its IUPAC name is 15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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: 160509768
• Molecular Formula: C90H92N12O22
• Molecular Weight: 1693.79 g/mol
• Exact Mass: 1692.64
• IUPAC Name: 15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
• SMILES: CN(C)Cc1cc2cc3c(cc2n1C)OCCc1c-3[nH]c(=O)c(C(=O)O)c1O.COc1ccc(CNCc2cc3cc4c(cc3n2C)OCCc2c-4[nH]c(=O)c(C(=O)O)c2O)c(OC)c1.Cn1c(CNC2CC2)cc2cc3c(cc21)OCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNC2CCC2)cc2cc3c(cc21)OCCc1c-3[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C27H27N3O7.C22H23N3O5.C21H21N3O5.C20H21N3O5/c1-30-16(13-28-12-14-4-5-17(35-2)10-21(14)36-3)8-15-9-19-22(11-20(15)30)37-7-6-18-24(19)29-26(32)23(25(18)31)27(33)34;1-25-13(10-23-12-3-2-4-12)7-11-8-15-17(9-16(11)25)30-6-5-14-19(15)24-21(27)18(20(14)26)22(28)29;1-24-12(9-22-11-2-3-11)6-10-7-14-16(8-15(10)24)29-5-4-13-18(14)23-20(26)17(19(13)25)21(27)28;1-22(2)9-11-6-10-7-13-15(8-14(10)23(11)3)28-5-4-12-17(13)21-19(25)16(18(12)24)20(26)27/h4-5,8-11,28H,6-7,12-13H2,1-3H3,(H,33,34)(H2,29,31,32);7-9,12,23H,2-6,10H2,1H3,(H,28,29)(H2,24,26,27);6-8,11,22H,2-5,9H2,1H3,(H,27,28)(H2,23,25,26);6-8H,4-5,9H2,1-3H3,(H,26,27)(H2,21,24,25)
• InChIKey: QSWVWYNMQAZQJK-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 475.99 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1693.79
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (CID 160509768) is 15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is CN(C)Cc1cc2cc3c(cc2n1C)OCCc1c-3[nH]c(=O)c(C(=O)O)c1O.COc1ccc(CNCc2cc3cc4c(cc3n2C)OCCc2c-4[nH]c(=O)c(C(=O)O)c2O)c(OC)c1.Cn1c(CNC2CC2)cc2cc3c(cc21)OCCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cn1c(CNC2CCC2)cc2cc3c(cc21)OCCc1c-3[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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 QSWVWYNMQAZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O7.C22H23N3O5.C21H21N3O5.C20H21N3O5/c1-30-16(13-28-12-14-4-5-17(35-2)10-21(14)36-3)8-15-9-19-22(11-20(15)30)37-7-6-18-24(19)29-26(32)23(25(18)31)27(33)34;1-25-13(10-23-12-3-2-4-12)7-11-8-15-17(9-16(11)25)30-6-5-14-19(15)24-21(27)18(20(14)26)22(28)29;1-24-12(9-22-11-2-3-11)6-10-7-14-16(8-15(10)24)29-5-4-13-18(14)23-20(26)17(19(13)25)21(27)28;1-22(2)9-11-6-10-7-13-15(8-14(10)23(11)3)28-5-4-12-17(13)21-19(25)16(18(12)24)20(26)27/h4-5,8-11,28H,6-7,12-13H2,1-3H3,(H,33,34)(H2,29,31,32);7-9,12,23H,2-6,10H2,1H3,(H,28,29)(H2,24,26,27);6-8,11,22H,2-5,9H2,1H3,(H,27,28)(H2,23,25,26);6-8H,4-5,9H2,1-3H3,(H,26,27)(H2,21,24,25).

What are the key properties of 15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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 1693.79 g/mol, XLogP of 9.75, 18 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(cyclopropylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[[(2,4-dimethoxyphenyl)methylamino]methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;15-[(dimethylamino)methyl]-6-hydroxy-14-methyl-4-oxo-10-oxa-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 160509768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).