13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

C19H18N2O — CID 22934130

IUPAC13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESCOc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2
InChIInChI=1S/C19H18N2O/c1-22-15-11-10-13-8-5-9-17-18(16(13)12-15)21-19(20-17)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21)
InChIKeyAOBJTWDVQLXNDW-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.24
Rot. Bonds2

About 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene

13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (PubChem CID 22934130) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.

Molecular Properties

Compound Name13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
PubChem CID22934130
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
SMILESCOc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2
InChIInChI=1S/C19H18N2O/c1-22-15-11-10-13-8-5-9-17-18(16(13)12-15)21-19(20-17)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21)
InChIKeyAOBJTWDVQLXNDW-UHFFFAOYSA-N
XLogP4.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The IUPAC name of 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene (CID 22934130) is 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene.
What is the SMILES notation for 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The canonical SMILES for 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2.
What is the InChIKey of 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
The InChIKey is AOBJTWDVQLXNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-22-15-11-10-13-8-5-9-17-18(16(13)12-15)21-19(20-17)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21).
What are the key properties of 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene?
13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene has a molecular weight of 290.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene is sourced from PubChem (CID 22934130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).