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

C13H10F4N2O2 — CID 106293362

IUPAC4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NCC(F)(F)C(F)F)c2ccccc2n1
InChIInChI=1S/C13H10F4N2O2/c14-12(15)13(16,17)6-18-9-5-10(11(20)21)19-8-4-2-1-3-7(8)9/h1-5,12H,6H2,(H,18,19)(H,20,21)
InChIKeyHMLMUEJWRJGTIA-UHFFFAOYSA-N
MW302.23 g/mol
LogP3.25
Rot. Bonds5

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

4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid (PubChem CID 106293362) has the molecular formula C13H10F4N2O2 and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
PubChem CID106293362
Molecular FormulaC13H10F4N2O2
Molecular Weight302.23 g/mol
Exact Mass302.07
IUPAC Name4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NCC(F)(F)C(F)F)c2ccccc2n1
InChIInChI=1S/C13H10F4N2O2/c14-12(15)13(16,17)6-18-9-5-10(11(20)21)19-8-4-2-1-3-7(8)9/h1-5,12H,6H2,(H,18,19)(H,20,21)
InChIKeyHMLMUEJWRJGTIA-UHFFFAOYSA-N
XLogP3.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
CID 55183063
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476
4-(2-chloroanilino)quinoline-2-carboxylic acid
CID 63538967
2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295661
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
CID 63377198
4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
CID 114468112

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid (CID 106293362) is 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid is O=C(O)c1cc(NCC(F)(F)C(F)F)c2ccccc2n1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid?
The InChIKey is HMLMUEJWRJGTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O2/c14-12(15)13(16,17)6-18-9-5-10(11(20)21)19-8-4-2-1-3-7(8)9/h1-5,12H,6H2,(H,18,19)(H,20,21).
What are the key properties of 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid?
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid has a molecular weight of 302.23 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 106293362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).