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

C14H14N2O — CID 2876479

IUPAC4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
SMILESCCC1=NNc2cccc3c(OC)ccc1c23
InChIInChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
InChIKeyOSHYRZXUHGNKMW-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.39
Rot. Bonds2

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

4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene (PubChem CID 2876479) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene.

Molecular Properties

Compound Name4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
PubChem CID2876479
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
SMILESCCC1=NNc2cccc3c(OC)ccc1c23
InChIInChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
InChIKeyOSHYRZXUHGNKMW-UHFFFAOYSA-N
XLogP3.39
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.39
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
6-Methoxy-3-methyl-1H-benzo[de]cinnoline
CID 644992
7-Methoxynaphthalen-1-amine
CID 235817
3-(3,4-dimethoxyphenyl)-6-methoxy-1H-benzo[de]cinnoline
CID 2876406
1-ethyl-6-methoxy-3-(4-methoxyphenyl)-1H-benzo[de]cinnoline
CID 3746661
5-Methoxynaphthalen-1-amine
CID 235548
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 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The IUPAC name of 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene (CID 2876479) is 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene.
What is the SMILES notation for 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The canonical SMILES for 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene is CCC1=NNc2cccc3c(OC)ccc1c23.
What is the InChIKey of 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
The InChIKey is OSHYRZXUHGNKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3.
What are the key properties of 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene?
4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene has a molecular weight of 226.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-methoxy-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene is sourced from PubChem (CID 2876479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).