4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

C19H20N2O — CID 768482

IUPAC4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCCOc1ccc(-c2cn3c(c2C)-c2cccn2CC3)cc1
InChIInChI=1S/C19H20N2O/c1-3-22-16-8-6-15(7-9-16)17-13-21-12-11-20-10-4-5-18(20)19(21)14(17)2/h4-10,13H,3,11-12H2,1-2H3
InChIKeyONSHRBOKVRWJCF-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.34
Rot. Bonds3

About 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 768482) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID768482
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCCOc1ccc(-c2cn3c(c2C)-c2cccn2CC3)cc1
InChIInChI=1S/C19H20N2O/c1-3-22-16-8-6-15(7-9-16)17-13-21-12-11-20-10-4-5-18(20)19(21)14(17)2/h4-10,13H,3,11-12H2,1-2H3
InChIKeyONSHRBOKVRWJCF-UHFFFAOYSA-N
XLogP4.34
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 768482) is 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is CCOc1ccc(-c2cn3c(c2C)-c2cccn2CC3)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is ONSHRBOKVRWJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-22-16-8-6-15(7-9-16)17-13-21-12-11-20-10-4-5-18(20)19(21)14(17)2/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 292.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-methyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 768482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).