N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide

C18H14F3N3O2 — CID 67508903

IUPACN-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)n1)c1cccc2cccnc12
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)11-26-15-8-2-6-13(24-15)10-23-17(25)14-7-1-4-12-5-3-9-22-16(12)14/h1-9H,10-11H2,(H,23,25)
InChIKeyZYFHGENWKPUZDN-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.50
Rot. Bonds5

About N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide

N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide (PubChem CID 67508903) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide
PubChem CID67508903
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)n1)c1cccc2cccnc12
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)11-26-15-8-2-6-13(24-15)10-23-17(25)14-7-1-4-12-5-3-9-22-16(12)14/h1-9H,10-11H2,(H,23,25)
InChIKeyZYFHGENWKPUZDN-UHFFFAOYSA-N
XLogP3.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide (CID 67508903) is N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide is O=C(NCc1cccc(OCC(F)(F)F)n1)c1cccc2cccnc12.
What is the InChIKey of N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide?
The InChIKey is ZYFHGENWKPUZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)11-26-15-8-2-6-13(24-15)10-23-17(25)14-7-1-4-12-5-3-9-22-16(12)14/h1-9H,10-11H2,(H,23,25).
What are the key properties of N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide?
N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 67508903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).