4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid

C13H11F3N2O2 — CID 63377479

IUPAC4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NCCC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)5-6-17-10-7-11(12(19)20)18-9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,17,18)(H,19,20)
InChIKeyVTRJLLPWJJEDER-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.30
Rot. Bonds4

About 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid

4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid (PubChem CID 63377479) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
PubChem CID63377479
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NCCC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)5-6-17-10-7-11(12(19)20)18-9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,17,18)(H,19,20)
InChIKeyVTRJLLPWJJEDER-UHFFFAOYSA-N
XLogP3.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid (CID 63377479) is 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid is O=C(O)c1cc(NCCC(F)(F)F)c2ccccc2n1.
What is the InChIKey of 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid?
The InChIKey is VTRJLLPWJJEDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)5-6-17-10-7-11(12(19)20)18-9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,17,18)(H,19,20).
What are the key properties of 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid?
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid has a molecular weight of 284.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 63377479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).