4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one

C17H15NO2 — CID 66826122

IUPAC4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one
SMILESCN1CC2c3ccccc3Oc3ccccc3C2C1=O
InChIInChI=1S/C17H15NO2/c1-18-10-13-11-6-2-4-8-14(11)20-15-9-5-3-7-12(15)16(13)17(18)19/h2-9,13,16H,10H2,1H3
InChIKeyVTOOLURMEQGGMY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.13
Rot. Bonds

About 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one

4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one (PubChem CID 66826122) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one.

Molecular Properties

Compound Name4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one
PubChem CID66826122
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one
SMILESCN1CC2c3ccccc3Oc3ccccc3C2C1=O
InChIInChI=1S/C17H15NO2/c1-18-10-13-11-6-2-4-8-14(11)20-15-9-5-3-7-12(15)16(13)17(18)19/h2-9,13,16H,10H2,1H3
InChIKeyVTOOLURMEQGGMY-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one?
The IUPAC name of 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one (CID 66826122) is 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one.
What is the SMILES notation for 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one?
The canonical SMILES for 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one is CN1CC2c3ccccc3Oc3ccccc3C2C1=O.
What is the InChIKey of 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one?
The InChIKey is VTOOLURMEQGGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-10-13-11-6-2-4-8-14(11)20-15-9-5-3-7-12(15)16(13)17(18)19/h2-9,13,16H,10H2,1H3.
What are the key properties of 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one?
4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one has a molecular weight of 265.31 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-3-one is sourced from PubChem (CID 66826122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).