6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione

C19H17N3O3 — CID 5297283

IUPAC6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
SMILESCOc1ccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc1
InChIInChI=1S/C19H17N3O3/c1-11-4-3-9-22-17(11)21-19(24)16-14(10-15(23)20-18(16)22)12-5-7-13(25-2)8-6-12/h3-9,14H,10H2,1-2H3,(H,20,23)
InChIKeyHNZCBFHGASIYPY-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.49
Rot. Bonds2

About 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione

6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione (PubChem CID 5297283) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
PubChem CID5297283
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
SMILESCOc1ccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc1
InChIInChI=1S/C19H17N3O3/c1-11-4-3-9-22-17(11)21-19(24)16-14(10-15(23)20-18(16)22)12-5-7-13(25-2)8-6-12/h3-9,14H,10H2,1-2H3,(H,20,23)
InChIKeyHNZCBFHGASIYPY-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The IUPAC name of 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione (CID 5297283) is 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione is COc1ccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The InChIKey is HNZCBFHGASIYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-4-3-9-22-17(11)21-19(24)16-14(10-15(23)20-18(16)22)12-5-7-13(25-2)8-6-12/h3-9,14H,10H2,1-2H3,(H,20,23).
What are the key properties of 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione has a molecular weight of 335.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione is sourced from PubChem (CID 5297283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).