8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene

C13H12N2O — CID 644992

IUPAC8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
SMILESCOc1ccc2c3c(cccc13)NN=C2C
InChIInChI=1S/C13H12N2O/c1-8-9-6-7-12(16-2)10-4-3-5-11(13(9)10)15-14-8/h3-7,15H,1-2H3
InChIKeyMXCNJRIUQVTTPS-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.00
Rot. Bonds1

About 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene

8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene (PubChem CID 644992) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene.

Molecular Properties

Compound Name8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
PubChem CID644992
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
SMILESCOc1ccc2c3c(cccc13)NN=C2C
InChIInChI=1S/C13H12N2O/c1-8-9-6-7-12(16-2)10-4-3-5-11(13(9)10)15-14-8/h3-7,15H,1-2H3
InChIKeyMXCNJRIUQVTTPS-UHFFFAOYSA-N
XLogP3.00
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_C(2)', 'substructure': 'N/A'}

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Related Compounds

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CID 611216
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7-Methoxynaphthalen-1-amine
CID 235817
1-ethyl-6-methoxy-3-(4-methoxyphenyl)-1H-benzo[de]cinnoline
CID 3746661
5-Methoxynaphthalen-1-amine
CID 235548
3-Ethyl-6-methoxy-1H-benzo[de]cinnoline
CID 2876479
1-Ethyl-6-methoxy-3-methyl-1H-benzo[de]cinnoline
CID 607616
(6-Methoxynaphthalen-2-yl)hydrazine
CID 12658432
1-(6-methoxy-3-methyl-1H-benzo[de]cinnolin-1-yl)ethanone
CID 3129173
N-[(E)-(6-methylchromen-4-ylidene)amino]aniline
CID 5838964
2,2,2-Trifluoro-1-(6-methoxy-3-methyl-1h-benzo[de]cinnolin-1-yl)ethanone
CID 129755725
[1,1'-Binaphthalen]-2-amine, 2'-methoxy-
CID 10968563

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The IUPAC name of 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene (CID 644992) is 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene.
What is the SMILES notation for 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The canonical SMILES for 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene is COc1ccc2c3c(cccc13)NN=C2C.
What is the InChIKey of 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The InChIKey is MXCNJRIUQVTTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-9-6-7-12(16-2)10-4-3-5-11(13(9)10)15-14-8/h3-7,15H,1-2H3.
What are the key properties of 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene has a molecular weight of 212.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene is sourced from PubChem (CID 644992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).