4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one

C20H19NO5 — CID 14526434

IUPAC4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
SMILESCOc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)N3C
InChIInChI=1S/C20H19NO5/c1-21-13-6-10-7-14(23-2)15(24-3)8-11(10)18-17(13)12(20(21)22)9-16(25-4)19(18)26-5/h6-9H,1-5H3
InChIKeyAADCWJFQHQIXSD-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.62
Rot. Bonds4

About 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one

4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one (PubChem CID 14526434) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one.

Molecular Properties

Compound Name4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
PubChem CID14526434
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
SMILESCOc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)N3C
InChIInChI=1S/C20H19NO5/c1-21-13-6-10-7-14(23-2)15(24-3)8-11(10)18-17(13)12(20(21)22)9-16(25-4)19(18)26-5/h6-9H,1-5H3
InChIKeyAADCWJFQHQIXSD-UHFFFAOYSA-N
XLogP3.62
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The IUPAC name of 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one (CID 14526434) is 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one.
What is the SMILES notation for 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The canonical SMILES for 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one is COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)N3C.
What is the InChIKey of 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The InChIKey is AADCWJFQHQIXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-21-13-6-10-7-14(23-2)15(24-3)8-11(10)18-17(13)12(20(21)22)9-16(25-4)19(18)26-5/h6-9H,1-5H3.
What are the key properties of 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one has a molecular weight of 353.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,14,15-tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one is sourced from PubChem (CID 14526434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).