N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide

C19H16F3N3O2 — CID 56966285

IUPACN-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccc2c1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H16F3N3O2/c1-12(14-6-7-17(24-9-14)27-11-19(20,21)22)25-18(26)15-8-13-4-2-3-5-16(13)23-10-15/h2-10,12H,11H2,1H3,(H,25,26)
InChIKeyGFDYNHFLZHTHTL-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.06
Rot. Bonds5

About N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide

N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide (PubChem CID 56966285) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide
PubChem CID56966285
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccccc2c1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H16F3N3O2/c1-12(14-6-7-17(24-9-14)27-11-19(20,21)22)25-18(26)15-8-13-4-2-3-5-16(13)23-10-15/h2-10,12H,11H2,1H3,(H,25,26)
InChIKeyGFDYNHFLZHTHTL-UHFFFAOYSA-N
XLogP4.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide?
The IUPAC name of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide (CID 56966285) is N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide?
The canonical SMILES for N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide is CC(NC(=O)c1cnc2ccccc2c1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide?
The InChIKey is GFDYNHFLZHTHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-12(14-6-7-17(24-9-14)27-11-19(20,21)22)25-18(26)15-8-13-4-2-3-5-16(13)23-10-15/h2-10,12H,11H2,1H3,(H,25,26).
What are the key properties of N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide?
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 56966285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).