(10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine

C112H143N33O14 — CID 159708918

IUPAC(10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine
SMILESC.C.C.C.C.C.C/C1=C/COc2cccc(c2)Cn2c(C)nc3c(N)nc(nc32)OC1.COc1cc2cc(c1)OCCCCOc1nc(N)c3nc(C)n(c3n1)C2.COc1ccc2cc1OCCCCOc1nc(N)c3nc(C)n(c3n1)C2.Cc1nc2c(N)nc3nc2n1Cc1cc(ccn1)OC/C=C/CCO3.Cc1nc2c(N)nc3nc2n1Cc1cccc(n1)OC/C=C/CCCO3.Cc1nc2c(N)nc3nc2n1Cc1ncccc1OCCCCCO3
InChIInChI=1S/C18H20N6O2.2C18H21N5O3.C18H19N5O2.C17H20N6O2.C17H18N6O2.6CH4/c1-12-20-15-16(19)22-18-23-17(15)24(12)11-13-7-6-8-14(21-13)25-9-4-2-3-5-10-26-18;1-11-20-15-16(19)21-18-22-17(15)23(11)10-12-5-6-13(24-2)14(9-12)25-7-3-4-8-26-18;1-11-20-15-16(19)21-18-22-17(15)23(11)10-12-7-13(24-2)9-14(8-12)25-5-3-4-6-26-18;1-11-6-7-24-14-5-3-4-13(8-14)9-23-12(2)20-15-16(19)21-18(25-10-11)22-17(15)23;1-11-20-14-15(18)21-17-22-16(14)23(11)10-12-13(6-5-7-19-12)24-8-3-2-4-9-25-17;1-11-20-14-15(18)21-17-22-16(14)23(11)10-12-9-13(5-6-19-12)24-7-3-2-4-8-25-17;;;;;;/h2,4,6-8H,3,5,9-11H2,1H3,(H2,19,22,23);5-6,9H,3-4,7-8,10H2,1-2H3,(H2,19,21,22);7-9H,3-6,10H2,1-2H3,(H2,19,21,22);3-6,8H,7,9-10H2,1-2H3,(H2,19,21,22);5-7H,2-4,8-10H2,1H3,(H2,18,21,22);2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,21,22);6*1H4/b4-2+;;;11-6-;;3-2+;;;;;;
InChIKeyMYOUVOGYHJYIIX-DLORNYCCSA-N
MW2175.59 g/mol
LogP17.20
Rot. Bonds2

About (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine

(10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine (PubChem CID 159708918) has the molecular formula C112H143N33O14 and a molecular weight of 2175.59 g/mol. Its IUPAC name is (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine.

Molecular Properties

Compound Name(10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine
PubChem CID159708918
Molecular FormulaC112H143N33O14
Molecular Weight2175.59 g/mol
Exact Mass2174.15
IUPAC Name(10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine
SMILESC.C.C.C.C.C.C/C1=C/COc2cccc(c2)Cn2c(C)nc3c(N)nc(nc32)OC1.COc1cc2cc(c1)OCCCCOc1nc(N)c3nc(C)n(c3n1)C2.COc1ccc2cc1OCCCCOc1nc(N)c3nc(C)n(c3n1)C2.Cc1nc2c(N)nc3nc2n1Cc1cc(ccn1)OC/C=C/CCO3.Cc1nc2c(N)nc3nc2n1Cc1cccc(n1)OC/C=C/CCCO3.Cc1nc2c(N)nc3nc2n1Cc1ncccc1OCCCCCO3
InChIInChI=1S/C18H20N6O2.2C18H21N5O3.C18H19N5O2.C17H20N6O2.C17H18N6O2.6CH4/c1-12-20-15-16(19)22-18-23-17(15)24(12)11-13-7-6-8-14(21-13)25-9-4-2-3-5-10-26-18;1-11-20-15-16(19)21-18-22-17(15)23(11)10-12-5-6-13(24-2)14(9-12)25-7-3-4-8-26-18;1-11-20-15-16(19)21-18-22-17(15)23(11)10-12-7-13(24-2)9-14(8-12)25-5-3-4-6-26-18;1-11-6-7-24-14-5-3-4-13(8-14)9-23-12(2)20-15-16(19)21-18(25-10-11)22-17(15)23;1-11-20-14-15(18)21-17-22-16(14)23(11)10-12-13(6-5-7-19-12)24-8-3-2-4-9-25-17;1-11-20-14-15(18)21-17-22-16(14)23(11)10-12-9-13(5-6-19-12)24-7-3-2-4-8-25-17;;;;;;/h2,4,6-8H,3,5,9-11H2,1H3,(H2,19,22,23);5-6,9H,3-4,7-8,10H2,1-2H3,(H2,19,21,22);7-9H,3-6,10H2,1-2H3,(H2,19,21,22);3-6,8H,7,9-10H2,1-2H3,(H2,19,21,22);5-7H,2-4,8-10H2,1H3,(H2,18,21,22);2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,21,22);6*1H4/b4-2+;;;11-6-;;3-2+;;;;;;
InChIKeyMYOUVOGYHJYIIX-DLORNYCCSA-N
XLogP17.20
TPSA585.61 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds2
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002175.59
LogP ≤ 517.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine with MolForge

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US11274108, Example 1-187
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Frequently Asked Questions

What is the IUPAC name of (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine?
The IUPAC name of (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine (CID 159708918) is (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine.
What is the SMILES notation for (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine?
The canonical SMILES for (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine is C.C.C.C.C.C.C/C1=C/COc2cccc(c2)Cn2c(C)nc3c(N)nc(nc32)OC1.COc1cc2cc(c1)OCCCCOc1nc(N)c3nc(C)n(c3n1)C2.COc1ccc2cc1OCCCCOc1nc(N)c3nc(C)n(c3n1)C2.Cc1nc2c(N)nc3nc2n1Cc1cc(ccn1)OC/C=C/CCO3.Cc1nc2c(N)nc3nc2n1Cc1cccc(n1)OC/C=C/CCCO3.Cc1nc2c(N)nc3nc2n1Cc1ncccc1OCCCCCO3.
What is the InChIKey of (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine?
The InChIKey is MYOUVOGYHJYIIX-DLORNYCCSA-N. The full InChI is InChI=1S/C18H20N6O2.2C18H21N5O3.C18H19N5O2.C17H20N6O2.C17H18N6O2.6CH4/c1-12-20-15-16(19)22-18-23-17(15)24(12)11-13-7-6-8-14(21-13)25-9-4-2-3-5-10-26-18;1-11-20-15-16(19)21-18-22-17(15)23(11)10-12-5-6-13(24-2)14(9-12)25-7-3-4-8-26-18;1-11-20-15-16(19)21-18-22-17(15)23(11)10-12-7-13(24-2)9-14(8-12)25-5-3-4-6-26-18;1-11-6-7-24-14-5-3-4-13(8-14)9-23-12(2)20-15-16(19)21-18(25-10-11)22-17(15)23;1-11-20-14-15(18)21-17-22-16(14)23(11)10-12-13(6-5-7-19-12)24-8-3-2-4-9-25-17;1-11-20-14-15(18)21-17-22-16(14)23(11)10-12-9-13(5-6-19-12)24-7-3-2-4-8-25-17;;;;;;/h2,4,6-8H,3,5,9-11H2,1H3,(H2,19,22,23);5-6,9H,3-4,7-8,10H2,1-2H3,(H2,19,21,22);7-9H,3-6,10H2,1-2H3,(H2,19,21,22);3-6,8H,7,9-10H2,1-2H3,(H2,19,21,22);5-7H,2-4,8-10H2,1H3,(H2,18,21,22);2-3,5-6,9H,4,7-8,10H2,1H3,(H2,18,21,22);6*1H4/b4-2+;;;11-6-;;3-2+;;;;;;.
What are the key properties of (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine?
(10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine has a molecular weight of 2175.59 g/mol, XLogP of 17.20, 2 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine is sourced from PubChem (CID 159708918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).