11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione

C22H24F3N3O3 — CID 162688974

IUPAC11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
SMILESCc1ccccc1C1C(CC(F)(F)F)CCC2(C)N(C)C(=O)c3c(O)c(=O)ccn3N12
InChIInChI=1S/C22H24F3N3O3/c1-13-6-4-5-7-15(13)17-14(12-22(23,24)25)8-10-21(2)26(3)20(31)18-19(30)16(29)9-11-27(18)28(17)21/h4-7,9,11,14,17,30H,8,10,12H2,1-3H3
InChIKeyPVCXIETUSNAOIV-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.71
Rot. Bonds2

About 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione

11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione (PubChem CID 162688974) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
PubChem CID162688974
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
SMILESCc1ccccc1C1C(CC(F)(F)F)CCC2(C)N(C)C(=O)c3c(O)c(=O)ccn3N12
InChIInChI=1S/C22H24F3N3O3/c1-13-6-4-5-7-15(13)17-14(12-22(23,24)25)8-10-21(2)26(3)20(31)18-19(30)16(29)9-11-27(18)28(17)21/h4-7,9,11,14,17,30H,8,10,12H2,1-3H3
InChIKeyPVCXIETUSNAOIV-UHFFFAOYSA-N
XLogP3.71
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione (CID 162688974) is 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione is Cc1ccccc1C1C(CC(F)(F)F)CCC2(C)N(C)C(=O)c3c(O)c(=O)ccn3N12.
What is the InChIKey of 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The InChIKey is PVCXIETUSNAOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-13-6-4-5-7-15(13)17-14(12-22(23,24)25)8-10-21(2)26(3)20(31)18-19(30)16(29)9-11-27(18)28(17)21/h4-7,9,11,14,17,30H,8,10,12H2,1-3H3.
What are the key properties of 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione has a molecular weight of 435.45 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-7,8-dimethyl-3-(2-methylphenyl)-4-(2,2,2-trifluoroethyl)-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 162688974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).