7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide

C15H10F4N2O2 — CID 56794202

IUPAC7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
SMILESC#CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C15H10F4N2O2/c1-2-5-21(8-15(17,18)19)14(23)11-7-13(22)20-12-6-9(16)3-4-10(11)12/h1,3-4,6-7H,5,8H2,(H,20,22)
InChIKeyNKXWKFMUCVOXNR-UHFFFAOYSA-N
MW326.25 g/mol
LogP2.30
Rot. Bonds3

About 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide (PubChem CID 56794202) has the molecular formula C15H10F4N2O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
PubChem CID56794202
Molecular FormulaC15H10F4N2O2
Molecular Weight326.25 g/mol
Exact Mass326.07
IUPAC Name7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
SMILESC#CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C15H10F4N2O2/c1-2-5-21(8-15(17,18)19)14(23)11-7-13(22)20-12-6-9(16)3-4-10(11)12/h1,3-4,6-7H,5,8H2,(H,20,22)
InChIKeyNKXWKFMUCVOXNR-UHFFFAOYSA-N
XLogP2.30
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide (CID 56794202) is 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide is C#CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide?
The InChIKey is NKXWKFMUCVOXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O2/c1-2-5-21(8-15(17,18)19)14(23)11-7-13(22)20-12-6-9(16)3-4-10(11)12/h1,3-4,6-7H,5,8H2,(H,20,22).
What are the key properties of 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide has a molecular weight of 326.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 56794202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).