5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene

C23H23NO — CID 162400005

IUPAC5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
SMILESCOc1cc2c(cc1-c1ccccc1)-c1ccccc1CCN(C)C2
InChIInChI=1S/C23H23NO/c1-24-13-12-18-10-6-7-11-20(18)21-15-22(17-8-4-3-5-9-17)23(25-2)14-19(21)16-24/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyJGYQUMZYBRSUIM-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.02
Rot. Bonds2

About 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene

5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene (PubChem CID 162400005) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene.

Molecular Properties

Compound Name5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
PubChem CID162400005
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
SMILESCOc1cc2c(cc1-c1ccccc1)-c1ccccc1CCN(C)C2
InChIInChI=1S/C23H23NO/c1-24-13-12-18-10-6-7-11-20(18)21-15-22(17-8-4-3-5-9-17)23(25-2)14-19(21)16-24/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyJGYQUMZYBRSUIM-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene with MolForge

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Related Compounds

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5-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-1,2-dihydro-3-benzazepine
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1,2,4-trimethoxy-5-phenylbenzene
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methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
CID 168786379
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
2,7-dimethoxy-9-methyl-3,6-diphenylcarbazole
CID 143239757
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
CID 23078397

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The IUPAC name of 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene (CID 162400005) is 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene.
What is the SMILES notation for 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The canonical SMILES for 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene is COc1cc2c(cc1-c1ccccc1)-c1ccccc1CCN(C)C2.
What is the InChIKey of 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The InChIKey is JGYQUMZYBRSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-24-13-12-18-10-6-7-11-20(18)21-15-22(17-8-4-3-5-9-17)23(25-2)14-19(21)16-24/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene has a molecular weight of 329.44 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9-methyl-4-phenyl-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene is sourced from PubChem (CID 162400005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).