5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid

C16H13F3N2O3 — CID 23086711

IUPAC5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid
SMILESO=C(O)C1Cc2nnc(-c3cccc(C(F)(F)F)c3)cc2C(O)C1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)10-3-1-2-8(4-10)12-7-11-13(21-20-12)5-9(15(23)24)6-14(11)22/h1-4,7,9,14,22H,5-6H2,(H,23,24)
InChIKeySBTGLWQPBJSHGZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.84
Rot. Bonds2

About 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid

5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid (PubChem CID 23086711) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid
PubChem CID23086711
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid
SMILESO=C(O)C1Cc2nnc(-c3cccc(C(F)(F)F)c3)cc2C(O)C1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)10-3-1-2-8(4-10)12-7-11-13(21-20-12)5-9(15(23)24)6-14(11)22/h1-4,7,9,14,22H,5-6H2,(H,23,24)
InChIKeySBTGLWQPBJSHGZ-UHFFFAOYSA-N
XLogP2.84
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid 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 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid?
The IUPAC name of 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid (CID 23086711) is 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid.
What is the SMILES notation for 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid?
The canonical SMILES for 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid is O=C(O)C1Cc2nnc(-c3cccc(C(F)(F)F)c3)cc2C(O)C1.
What is the InChIKey of 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid?
The InChIKey is SBTGLWQPBJSHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)10-3-1-2-8(4-10)12-7-11-13(21-20-12)5-9(15(23)24)6-14(11)22/h1-4,7,9,14,22H,5-6H2,(H,23,24).
What are the key properties of 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid?
5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid has a molecular weight of 338.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnoline-7-carboxylic acid is sourced from PubChem (CID 23086711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).