4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid

C17H11F3N2O2 — CID 7137718

IUPAC4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccccc1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)13-8-4-7-11-14(22-10-5-2-1-3-6-10)12(16(23)24)9-21-15(11)13/h1-9H,(H,21,22)(H,23,24)
InChIKeyMQZPZFKGNYHYIQ-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.70
Rot. Bonds3

About 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid

4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid (PubChem CID 7137718) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid
PubChem CID7137718
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccccc1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)13-8-4-7-11-14(22-10-5-2-1-3-6-10)12(16(23)24)9-21-15(11)13/h1-9H,(H,21,22)(H,23,24)
InChIKeyMQZPZFKGNYHYIQ-UHFFFAOYSA-N
XLogP4.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid (CID 7137718) is 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid is O=C(O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid?
The InChIKey is MQZPZFKGNYHYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)13-8-4-7-11-14(22-10-5-2-1-3-6-10)12(16(23)24)9-21-15(11)13/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid?
4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-8-(trifluoromethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 7137718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).