5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione

C18H15NO3 — CID 156698371

IUPAC5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione
SMILESCOc1cc2c(=O)c3cccc4c3n(c2c(C)c1C)C(=O)C4
InChIInChI=1S/C18H15NO3/c1-9-10(2)16-13(8-14(9)22-3)18(21)12-6-4-5-11-7-15(20)19(16)17(11)12/h4-6,8H,7H2,1-3H3
InChIKeyHBVKHCPXLJQEGY-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.98
Rot. Bonds1

About 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione

5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione (PubChem CID 156698371) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione.

Molecular Properties

Compound Name5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione
PubChem CID156698371
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione
SMILESCOc1cc2c(=O)c3cccc4c3n(c2c(C)c1C)C(=O)C4
InChIInChI=1S/C18H15NO3/c1-9-10(2)16-13(8-14(9)22-3)18(21)12-6-4-5-11-7-15(20)19(16)17(11)12/h4-6,8H,7H2,1-3H3
InChIKeyHBVKHCPXLJQEGY-UHFFFAOYSA-N
XLogP2.98
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione?
The IUPAC name of 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione (CID 156698371) is 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione.
What is the SMILES notation for 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione?
The canonical SMILES for 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione is COc1cc2c(=O)c3cccc4c3n(c2c(C)c1C)C(=O)C4.
What is the InChIKey of 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione?
The InChIKey is HBVKHCPXLJQEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-9-10(2)16-13(8-14(9)22-3)18(21)12-6-4-5-11-7-15(20)19(16)17(11)12/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione?
5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione has a molecular weight of 293.32 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dimethyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-8,15-dione is sourced from PubChem (CID 156698371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).