5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene

C18H14N2O — CID 177136734

IUPAC5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene
SMILESCc1ncc2c(c1-c1ccccc1)COc1cnccc1-2
InChIInChI=1S/C18H14N2O/c1-12-18(13-5-3-2-4-6-13)16-11-21-17-10-19-8-7-14(17)15(16)9-20-12/h2-10H,11H2,1H3
InChIKeyGXKXGOXJFMQRSI-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.01
Rot. Bonds1

About 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene

5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene (PubChem CID 177136734) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene.

Molecular Properties

Compound Name5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene
PubChem CID177136734
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene
SMILESCc1ncc2c(c1-c1ccccc1)COc1cnccc1-2
InChIInChI=1S/C18H14N2O/c1-12-18(13-5-3-2-4-6-13)16-11-21-17-10-19-8-7-14(17)15(16)9-20-12/h2-10H,11H2,1H3
InChIKeyGXKXGOXJFMQRSI-UHFFFAOYSA-N
XLogP4.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene?
The IUPAC name of 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene (CID 177136734) is 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene.
What is the SMILES notation for 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene?
The canonical SMILES for 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene is Cc1ncc2c(c1-c1ccccc1)COc1cnccc1-2.
What is the InChIKey of 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene?
The InChIKey is GXKXGOXJFMQRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12-18(13-5-3-2-4-6-13)16-11-21-17-10-19-8-7-14(17)15(16)9-20-12/h2-10H,11H2,1H3.
What are the key properties of 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene?
5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene has a molecular weight of 274.32 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-9-oxa-4,12-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene is sourced from PubChem (CID 177136734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).