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

C18H14FN3O2 — CID 5297284

IUPAC6-(4-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
SMILESCc1cccn2c3c(c(=O)nc12)C(c1ccc(F)cc1)CC(=O)N3
InChIInChI=1S/C18H14FN3O2/c1-10-3-2-8-22-16(10)21-18(24)15-13(9-14(23)20-17(15)22)11-4-6-12(19)7-5-11/h2-8,13H,9H2,1H3,(H,20,23)
InChIKeyHWDXAEMAFHZAKS-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.62
Rot. Bonds1

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

6-(4-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione (PubChem CID 5297284) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-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-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
PubChem CID5297284
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name6-(4-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
SMILESCc1cccn2c3c(c(=O)nc12)C(c1ccc(F)cc1)CC(=O)N3
InChIInChI=1S/C18H14FN3O2/c1-10-3-2-8-22-16(10)21-18(24)15-13(9-14(23)20-17(15)22)11-4-6-12(19)7-5-11/h2-8,13H,9H2,1H3,(H,20,23)
InChIKeyHWDXAEMAFHZAKS-UHFFFAOYSA-N
XLogP2.62
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-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-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione (CID 5297284) is 6-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione is Cc1cccn2c3c(c(=O)nc12)C(c1ccc(F)cc1)CC(=O)N3.
What is the InChIKey of 6-(4-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The InChIKey is HWDXAEMAFHZAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-10-3-2-8-22-16(10)21-18(24)15-13(9-14(23)20-17(15)22)11-4-6-12(19)7-5-11/h2-8,13H,9H2,1H3,(H,20,23).
What are the key properties of 6-(4-fluorophenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
6-(4-fluorophenyl)-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 323.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-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 5297284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).