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

C19H20FN3O3 — CID 170666468

IUPAC3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
SMILESCN1C(=O)c2c(O)c(=O)ccn2N2C1CCCC2(C)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3/c1-19(12-5-7-13(20)8-6-12)10-3-4-15-21(2)18(26)16-17(25)14(24)9-11-22(16)23(15)19/h5-9,11,15,25H,3-4,10H2,1-2H3
InChIKeyCGWSJUBOZFVKFV-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.14
Rot. Bonds1

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

3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione (PubChem CID 170666468) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
PubChem CID170666468
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
SMILESCN1C(=O)c2c(O)c(=O)ccn2N2C1CCCC2(C)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3/c1-19(12-5-7-13(20)8-6-12)10-3-4-15-21(2)18(26)16-17(25)14(24)9-11-22(16)23(15)19/h5-9,11,15,25H,3-4,10H2,1-2H3
InChIKeyCGWSJUBOZFVKFV-UHFFFAOYSA-N
XLogP2.14
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione (CID 170666468) is 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione is CN1C(=O)c2c(O)c(=O)ccn2N2C1CCCC2(C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The InChIKey is CGWSJUBOZFVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-19(12-5-7-13(20)8-6-12)10-3-4-15-21(2)18(26)16-17(25)14(24)9-11-22(16)23(15)19/h5-9,11,15,25H,3-4,10H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione has a molecular weight of 357.39 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-11-hydroxy-3,8-dimethyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 170666468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).