N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide

C20H18F3N3O2 — CID 67509155

IUPACN-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cnc3ccccc3c2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H18F3N3O2/c1-12-7-15(9-25-19(12)28-11-20(21,22)23)13(2)26-18(27)16-8-14-5-3-4-6-17(14)24-10-16/h3-10,13H,11H2,1-2H3,(H,26,27)
InChIKeyCASWHLBNQHCACW-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.37
Rot. Bonds5

About N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide

N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide (PubChem CID 67509155) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide
PubChem CID67509155
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cnc3ccccc3c2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H18F3N3O2/c1-12-7-15(9-25-19(12)28-11-20(21,22)23)13(2)26-18(27)16-8-14-5-3-4-6-17(14)24-10-16/h3-10,13H,11H2,1-2H3,(H,26,27)
InChIKeyCASWHLBNQHCACW-UHFFFAOYSA-N
XLogP4.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide?
The IUPAC name of N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide (CID 67509155) is N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide?
The canonical SMILES for N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide is Cc1cc(C(C)NC(=O)c2cnc3ccccc3c2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide?
The InChIKey is CASWHLBNQHCACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-12-7-15(9-25-19(12)28-11-20(21,22)23)13(2)26-18(27)16-8-14-5-3-4-6-17(14)24-10-16/h3-10,13H,11H2,1-2H3,(H,26,27).
What are the key properties of N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide?
N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 67509155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).