11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene

C13H14N2O2 — CID 10489630

IUPAC11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene
SMILESCOc1cc2c3c(ccnc3c1OC)NCC2
InChIInChI=1S/C13H14N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h4,6-7,14H,3,5H2,1-2H3
InChIKeyJGWLCFPRHLKVFH-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds2

About 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene

11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene (PubChem CID 10489630) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene.

Molecular Properties

Compound Name11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene
PubChem CID10489630
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene
SMILESCOc1cc2c3c(ccnc3c1OC)NCC2
InChIInChI=1S/C13H14N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h4,6-7,14H,3,5H2,1-2H3
InChIKeyJGWLCFPRHLKVFH-UHFFFAOYSA-N
XLogP2.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene with MolForge

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Related Compounds

Isoaaptamine
CID 395377
8,9-Dimethoxy-4H-benzo(de)(1,6)naphthyridine
CID 122826
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
6,7-Dimethoxy-4-[(4-methylphenyl)amino]quinoline-3-carbonitrile
CID 5328854
6,7-Dimethoxy-3-pyridin-4-yl-quinoline
CID 10061448
6,7-Dimethoxy-3-phenyl-quinoline
CID 10422972
Benzyl-(6,7-dimethoxy-quinolin-3-yl)-amine
CID 10424517
6,7-Dimethoxy-3-(3-pyridinyl)quinoline
CID 10445611
5-(6,7-Dimethoxy-quinolin-3-yl)-1H-pyridin-2-one
CID 11778521

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene?
The IUPAC name of 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene (CID 10489630) is 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene.
What is the SMILES notation for 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene?
The canonical SMILES for 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene is COc1cc2c3c(ccnc3c1OC)NCC2.
What is the InChIKey of 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene?
The InChIKey is JGWLCFPRHLKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h4,6-7,14H,3,5H2,1-2H3.
What are the key properties of 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene?
11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene has a molecular weight of 230.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaene is sourced from PubChem (CID 10489630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).