About 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione
11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione (PubChem CID 160587521) has the molecular formula C108H113N27O15
and a molecular weight of 2029.27 g/mol. Its IUPAC name is 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione.
Frequently Asked Questions
What is the IUPAC name of 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione?
The IUPAC name of 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione (CID 160587521) is 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione.
What is the SMILES notation for 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione?
The canonical SMILES for 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione is Cn1cc2c(n1)C(=O)CCCOCCCc1cc(ccn1)-c1cccc(c1)C(=O)N2.Cn1cc2c(n1)C(=O)CCCOCCCc1cc(ccn1)-c1cncc(c1)C(=O)N2.Cn1cc2c(n1)C(=O)CCCOCCNc1cc(ccn1)-c1cc(ccn1)C(=O)N2.Cn1cc2c(n1)C(=O)CCCOCCNc1cc(ccn1)-c1ccnc(c1)C(=O)N2.Cn1cc2c(n1)C(=O)CCCOCCNc1cc(ccn1)-c1cncc(c1)C(=O)N2.
What is the InChIKey of 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione?
The InChIKey is RCOWTNDBXXBQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3.C22H23N5O3.3C21H22N6O3/c1-27-15-20-22(26-27)21(28)8-4-12-30-11-3-7-19-14-17(9-10-24-19)16-5-2-6-18(13-16)23(29)25-20;1-27-14-19-21(26-27)20(28)5-3-9-30-8-2-4-18-11-15(6-7-24-18)16-10-17(13-23-12-16)22(29)25-19;1-27-13-17-20(26-27)18(28)3-2-9-30-10-8-24-19-12-14(4-7-23-19)16-11-15(5-6-22-16)21(29)25-17;1-27-13-17-20(26-27)18(28)3-2-9-30-10-8-24-19-12-15(5-7-23-19)14-4-6-22-16(11-14)21(29)25-17;1-27-13-17-20(26-27)18(28)3-2-7-30-8-6-24-19-10-14(4-5-23-19)15-9-16(12-22-11-15)21(29)25-17/h2,5-6,9-10,13-15H,3-4,7-8,11-12H2,1H3,(H,25,29);6-7,10-14H,2-5,8-9H2,1H3,(H,25,29);2*4-7,11-13H,2-3,8-10H2,1H3,(H,23,24)(H,25,29);4-5,9-13H,2-3,6-8H2,1H3,(H,23,24)(H,25,29).
What are the key properties of 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione?
11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione has a molecular weight of 2029.27 g/mol, XLogP of 14.32, 0 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione is sourced from PubChem (CID 160587521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).