4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol

C26H27NO5 — CID 11059122

IUPAC4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol
SMILESCOc1cc2c(cc1O)COCc1c3c(c(O)c(OC)c1-2)C(c1ccccc1)N(C)CC3
InChIInChI=1S/C26H27NO5/c1-27-10-9-17-19-14-32-13-16-11-20(28)21(30-2)12-18(16)22(19)26(31-3)25(29)23(17)24(27)15-7-5-4-6-8-15/h4-8,11-12,24,28-29H,9-10,13-14H2,1-3H3
InChIKeyHBRUKQOOHZJQSZ-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.39
Rot. Bonds3

About 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol

4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol (PubChem CID 11059122) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol.

Molecular Properties

Compound Name4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol
PubChem CID11059122
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol
SMILESCOc1cc2c(cc1O)COCc1c3c(c(O)c(OC)c1-2)C(c1ccccc1)N(C)CC3
InChIInChI=1S/C26H27NO5/c1-27-10-9-17-19-14-32-13-16-11-20(28)21(30-2)12-18(16)22(19)26(31-3)25(29)23(17)24(27)15-7-5-4-6-8-15/h4-8,11-12,24,28-29H,9-10,13-14H2,1-3H3
InChIKeyHBRUKQOOHZJQSZ-UHFFFAOYSA-N
XLogP4.39
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol?
The IUPAC name of 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol (CID 11059122) is 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol.
What is the SMILES notation for 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol?
The canonical SMILES for 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol is COc1cc2c(cc1O)COCc1c3c(c(O)c(OC)c1-2)C(c1ccccc1)N(C)CC3.
What is the InChIKey of 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol?
The InChIKey is HBRUKQOOHZJQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-27-10-9-17-19-14-32-13-16-11-20(28)21(30-2)12-18(16)22(19)26(31-3)25(29)23(17)24(27)15-7-5-4-6-8-15/h4-8,11-12,24,28-29H,9-10,13-14H2,1-3H3.
What are the key properties of 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol?
4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol has a molecular weight of 433.50 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,19-dimethoxy-15-methyl-16-phenyl-9-oxa-15-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(19),2,4,6,11,17-hexaene-5,18-diol is sourced from PubChem (CID 11059122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).