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

C18H11F3N2O4 — CID 7137714

IUPAC4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2c(C(=O)O)cnc3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C18H11F3N2O4/c19-18(20,21)13-3-1-2-11-14(12(17(26)27)8-22-15(11)13)23-10-6-4-9(5-7-10)16(24)25/h1-8H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyFBPKMCKKCZNNQE-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.39
Rot. Bonds4

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

4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid (PubChem CID 7137714) has the molecular formula C18H11F3N2O4 and a molecular weight of 376.29 g/mol. Its IUPAC name is 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid
PubChem CID7137714
Molecular FormulaC18H11F3N2O4
Molecular Weight376.29 g/mol
Exact Mass376.07
IUPAC Name4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2c(C(=O)O)cnc3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C18H11F3N2O4/c19-18(20,21)13-3-1-2-11-14(12(17(26)27)8-22-15(11)13)23-10-6-4-9(5-7-10)16(24)25/h1-8H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyFBPKMCKKCZNNQE-UHFFFAOYSA-N
XLogP4.39
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid (CID 7137714) is 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid is O=C(O)c1ccc(Nc2c(C(=O)O)cnc3c(C(F)(F)F)cccc23)cc1.
What is the InChIKey of 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid?
The InChIKey is FBPKMCKKCZNNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O4/c19-18(20,21)13-3-1-2-11-14(12(17(26)27)8-22-15(11)13)23-10-6-4-9(5-7-10)16(24)25/h1-8H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid?
4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid has a molecular weight of 376.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 7137714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).