13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene

C19H20N2O3 — CID 162645111

IUPAC13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
SMILESCOc1ccc(OC)c(Cn2ccc3c2-c2oncc2CCC3)c1
InChIInChI=1S/C19H20N2O3/c1-22-16-6-7-17(23-2)15(10-16)12-21-9-8-13-4-3-5-14-11-20-24-19(14)18(13)21/h6-11H,3-5,12H2,1-2H3
InChIKeyJRBANUQCBQUJPL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.70
Rot. Bonds4

About 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene

13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene (PubChem CID 162645111) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene.

Molecular Properties

Compound Name13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
PubChem CID162645111
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene
SMILESCOc1ccc(OC)c(Cn2ccc3c2-c2oncc2CCC3)c1
InChIInChI=1S/C19H20N2O3/c1-22-16-6-7-17(23-2)15(10-16)12-21-9-8-13-4-3-5-14-11-20-24-19(14)18(13)21/h6-11H,3-5,12H2,1-2H3
InChIKeyJRBANUQCBQUJPL-UHFFFAOYSA-N
XLogP3.70
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The IUPAC name of 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene (CID 162645111) is 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene.
What is the SMILES notation for 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The canonical SMILES for 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene is COc1ccc(OC)c(Cn2ccc3c2-c2oncc2CCC3)c1.
What is the InChIKey of 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
The InChIKey is JRBANUQCBQUJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-22-16-6-7-17(23-2)15(10-16)12-21-9-8-13-4-3-5-14-11-20-24-19(14)18(13)21/h6-11H,3-5,12H2,1-2H3.
What are the key properties of 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene?
13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene has a molecular weight of 324.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[(2,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene is sourced from PubChem (CID 162645111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).