14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol

C20H21NO4 — CID 14240822

IUPAC14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol
SMILESCOc1c(O)c(OC)c2c3c1CCN(C)c3c(C)c1cc(O)ccc12
InChIInChI=1S/C20H21NO4/c1-10-14-9-11(22)5-6-12(14)16-15-13(7-8-21(2)17(10)15)19(24-3)18(23)20(16)25-4/h5-6,9,22-23H,7-8H2,1-4H3
InChIKeyPGQAEFMZGSICRI-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.72
Rot. Bonds2

About 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol

14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol (PubChem CID 14240822) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol.

Molecular Properties

Compound Name14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol
PubChem CID14240822
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol
SMILESCOc1c(O)c(OC)c2c3c1CCN(C)c3c(C)c1cc(O)ccc12
InChIInChI=1S/C20H21NO4/c1-10-14-9-11(22)5-6-12(14)16-15-13(7-8-21(2)17(10)15)19(24-3)18(23)20(16)25-4/h5-6,9,22-23H,7-8H2,1-4H3
InChIKeyPGQAEFMZGSICRI-UHFFFAOYSA-N
XLogP3.72
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol?
The IUPAC name of 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol (CID 14240822) is 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol.
What is the SMILES notation for 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol?
The canonical SMILES for 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol is COc1c(O)c(OC)c2c3c1CCN(C)c3c(C)c1cc(O)ccc12.
What is the InChIKey of 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol?
The InChIKey is PGQAEFMZGSICRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-10-14-9-11(22)5-6-12(14)16-15-13(7-8-21(2)17(10)15)19(24-3)18(23)20(16)25-4/h5-6,9,22-23H,7-8H2,1-4H3.
What are the key properties of 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol?
14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol has a molecular weight of 339.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16-dimethoxy-8,10-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol is sourced from PubChem (CID 14240822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).