3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol

C16H15F3N2O2 — CID 24864114

IUPAC3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol
SMILESCC1Cc2nnc(-c3cc(O)cc(C(F)(F)F)c3)cc2C(O)C1
InChIInChI=1S/C16H15F3N2O2/c1-8-2-14-12(15(23)3-8)7-13(20-21-14)9-4-10(16(17,18)19)6-11(22)5-9/h4-8,15,22-23H,2-3H2,1H3
InChIKeyWDBPGCXSGUOMEC-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.48
Rot. Bonds1

About 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol

3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol (PubChem CID 24864114) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol.

Molecular Properties

Compound Name3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol
PubChem CID24864114
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol
SMILESCC1Cc2nnc(-c3cc(O)cc(C(F)(F)F)c3)cc2C(O)C1
InChIInChI=1S/C16H15F3N2O2/c1-8-2-14-12(15(23)3-8)7-13(20-21-14)9-4-10(16(17,18)19)6-11(22)5-9/h4-8,15,22-23H,2-3H2,1H3
InChIKeyWDBPGCXSGUOMEC-UHFFFAOYSA-N
XLogP3.48
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol?
The IUPAC name of 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol (CID 24864114) is 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol.
What is the SMILES notation for 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol?
The canonical SMILES for 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol is CC1Cc2nnc(-c3cc(O)cc(C(F)(F)F)c3)cc2C(O)C1.
What is the InChIKey of 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol?
The InChIKey is WDBPGCXSGUOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-8-2-14-12(15(23)3-8)7-13(20-21-14)9-4-10(16(17,18)19)6-11(22)5-9/h4-8,15,22-23H,2-3H2,1H3.
What are the key properties of 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol?
3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol has a molecular weight of 324.30 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-5-(trifluoromethyl)phenyl]-7-methyl-5,6,7,8-tetrahydrocinnolin-5-ol is sourced from PubChem (CID 24864114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).