5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one

C16H18N2O2 — CID 154495358

IUPAC5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one
SMILESCOc1ccc2c(c1)cc1n2C(=O)C2CCCN(C)C12
InChIInChI=1S/C16H18N2O2/c1-17-7-3-4-12-15(17)14-9-10-8-11(20-2)5-6-13(10)18(14)16(12)19/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyCTWBCVPFMAOZGL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.69
Rot. Bonds1

About 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one

5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one (PubChem CID 154495358) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one.

Molecular Properties

Compound Name5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one
PubChem CID154495358
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one
SMILESCOc1ccc2c(c1)cc1n2C(=O)C2CCCN(C)C12
InChIInChI=1S/C16H18N2O2/c1-17-7-3-4-12-15(17)14-9-10-8-11(20-2)5-6-13(10)18(14)16(12)19/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyCTWBCVPFMAOZGL-UHFFFAOYSA-N
XLogP2.69
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one?
The IUPAC name of 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one (CID 154495358) is 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one.
What is the SMILES notation for 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one?
The canonical SMILES for 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one is COc1ccc2c(c1)cc1n2C(=O)C2CCCN(C)C12.
What is the InChIKey of 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one?
The InChIKey is CTWBCVPFMAOZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-7-3-4-12-15(17)14-9-10-8-11(20-2)5-6-13(10)18(14)16(12)19/h5-6,8-9,12,15H,3-4,7H2,1-2H3.
What are the key properties of 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one?
5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one has a molecular weight of 270.33 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-11-methyl-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8-tetraen-16-one is sourced from PubChem (CID 154495358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).