5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

C18H23NO2 — CID 73228243

IUPAC5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
SMILESCOc1ccc2c(c1)CC1CC(C)CC23NC(=O)CCC13
InChIInChI=1S/C18H23NO2/c1-11-7-12-8-13-9-14(21-2)3-4-15(13)18(10-11)16(12)5-6-17(20)19-18/h3-4,9,11-12,16H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyXLWKQMFIHMWPEQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.02
Rot. Bonds1

About 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one (PubChem CID 73228243) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one.

Molecular Properties

Compound Name5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
PubChem CID73228243
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
SMILESCOc1ccc2c(c1)CC1CC(C)CC23NC(=O)CCC13
InChIInChI=1S/C18H23NO2/c1-11-7-12-8-13-9-14(21-2)3-4-15(13)18(10-11)16(12)5-6-17(20)19-18/h3-4,9,11-12,16H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyXLWKQMFIHMWPEQ-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?
The IUPAC name of 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one (CID 73228243) is 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one.
What is the SMILES notation for 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?
The canonical SMILES for 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one is COc1ccc2c(c1)CC1CC(C)CC23NC(=O)CCC13.
What is the InChIKey of 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?
The InChIKey is XLWKQMFIHMWPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11-7-12-8-13-9-14(21-2)3-4-15(13)18(10-11)16(12)5-6-17(20)19-18/h3-4,9,11-12,16H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?
5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one has a molecular weight of 285.39 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-16-methyl-14-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one is sourced from PubChem (CID 73228243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).