2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C23H17F3N4O3 — CID 71242087

IUPAC2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(OCC(F)(F)F)nc2)cc2ncccc12
InChIInChI=1S/C23H17F3N4O3/c24-23(25,26)13-33-21-6-5-14(11-30-21)15-9-18-16(3-1-7-28-18)20(10-15)32-12-19-17(22(27)31)4-2-8-29-19/h1-11H,12-13H2,(H2,27,31)
InChIKeyZEBIRCRXFHLRNH-UHFFFAOYSA-N
MW454.41 g/mol
LogP4.31
Rot. Bonds7

About 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71242087) has the molecular formula C23H17F3N4O3 and a molecular weight of 454.41 g/mol. Its IUPAC name is 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71242087
Molecular FormulaC23H17F3N4O3
Molecular Weight454.41 g/mol
Exact Mass454.13
IUPAC Name2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(OCC(F)(F)F)nc2)cc2ncccc12
InChIInChI=1S/C23H17F3N4O3/c24-23(25,26)13-33-21-6-5-14(11-30-21)15-9-18-16(3-1-7-28-18)20(10-15)32-12-19-17(22(27)31)4-2-8-29-19/h1-11H,12-13H2,(H2,27,31)
InChIKeyZEBIRCRXFHLRNH-UHFFFAOYSA-N
XLogP4.31
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71242087) is 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is NC(=O)c1cccnc1COc1cc(-c2ccc(OCC(F)(F)F)nc2)cc2ncccc12.
What is the InChIKey of 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is ZEBIRCRXFHLRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3/c24-23(25,26)13-33-21-6-5-14(11-30-21)15-9-18-16(3-1-7-28-18)20(10-15)32-12-19-17(22(27)31)4-2-8-29-19/h1-11H,12-13H2,(H2,27,31).
What are the key properties of 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 454.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71242087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).