2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C18H15N3OSe — CID 59572903

IUPAC2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCOc1ccccc1N1c2ncccc2[Se]c2cc(C)cnc21
InChIInChI=1S/C18H15N3OSe/c1-12-10-16-18(20-11-12)21(13-6-3-4-7-14(13)22-2)17-15(23-16)8-5-9-19-17/h3-11H,1-2H3
InChIKeySBKGFUWBJCIIBF-UHFFFAOYSA-N
MW368.30 g/mol
LogP2.23
Rot. Bonds2

About 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59572903) has the molecular formula C18H15N3OSe and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59572903
Molecular FormulaC18H15N3OSe
Molecular Weight368.30 g/mol
Exact Mass369.04
IUPAC Name2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCOc1ccccc1N1c2ncccc2[Se]c2cc(C)cnc21
InChIInChI=1S/C18H15N3OSe/c1-12-10-16-18(20-11-12)21(13-6-3-4-7-14(13)22-2)17-15(23-16)8-5-9-19-17/h3-11H,1-2H3
InChIKeySBKGFUWBJCIIBF-UHFFFAOYSA-N
XLogP2.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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Related Compounds

2-(2-methoxyphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573551
2-(2-methoxyphenyl)-6-methyl-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572656
2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 59573750
10-(2-methoxyphenyl)-3,7-dimethyl-5H-pyrido[2,3-b][1,8]naphthyridine
CID 59572478
2-(2-methoxyphenyl)-6,12-dimethyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573004
6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 699158
6-methyl-2-(2-methylphenyl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572302
3-methyl-10-(2-methylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine
CID 59573511
2-(3-methyl-5H-pyrido[2,3-b][1,8]naphthyridin-10-yl)phenol
CID 70829363
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572790
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133487895

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59572903) is 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is COc1ccccc1N1c2ncccc2[Se]c2cc(C)cnc21.
What is the InChIKey of 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is SBKGFUWBJCIIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OSe/c1-12-10-16-18(20-11-12)21(13-6-3-4-7-14(13)22-2)17-15(23-16)8-5-9-19-17/h3-11H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 368.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-methyl-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59572903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).