1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone

C18H18N2O2 — CID 12754364

IUPAC1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone
SMILESCC(=O)C1=C(C)OC2C1Nc1cc3ccccc3cc1N2C
InChIInChI=1S/C18H18N2O2/c1-10(21)16-11(2)22-18-17(16)19-14-8-12-6-4-5-7-13(12)9-15(14)20(18)3/h4-9,17-19H,1-3H3
InChIKeyCLWXVCCYURGFPT-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.29
Rot. Bonds1

About 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone

1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone (PubChem CID 12754364) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone.

Molecular Properties

Compound Name1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone
PubChem CID12754364
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone
SMILESCC(=O)C1=C(C)OC2C1Nc1cc3ccccc3cc1N2C
InChIInChI=1S/C18H18N2O2/c1-10(21)16-11(2)22-18-17(16)19-14-8-12-6-4-5-7-13(12)9-15(14)20(18)3/h4-9,17-19H,1-3H3
InChIKeyCLWXVCCYURGFPT-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone?
The IUPAC name of 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone (CID 12754364) is 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone.
What is the SMILES notation for 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone?
The canonical SMILES for 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone is CC(=O)C1=C(C)OC2C1Nc1cc3ccccc3cc1N2C.
What is the InChIKey of 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone?
The InChIKey is CLWXVCCYURGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-10(21)16-11(2)22-18-17(16)19-14-8-12-6-4-5-7-13(12)9-15(14)20(18)3/h4-9,17-19H,1-3H3.
What are the key properties of 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone?
1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11,14-dimethyl-13-oxa-11,17-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,14-hexaen-15-yl)ethanone is sourced from PubChem (CID 12754364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).