6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide

C22H20F2N4O3 — CID 118273448

IUPAC6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1
InChIInChI=1S/C22H20F2N4O3/c23-21(24)15-4-8-19(25-12-15)31-16-5-7-17-14(11-16)3-6-18(27-17)22(30)26-13-20(29)28-9-1-2-10-28/h3-8,11-12,21H,1-2,9-10,13H2,(H,26,30)
InChIKeyNEWIZHYVBXSAEC-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.71
Rot. Bonds6

About 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide

6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide (PubChem CID 118273448) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide
PubChem CID118273448
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC Name6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1
InChIInChI=1S/C22H20F2N4O3/c23-21(24)15-4-8-19(25-12-15)31-16-5-7-17-14(11-16)3-6-18(27-17)22(30)26-13-20(29)28-9-1-2-10-28/h3-8,11-12,21H,1-2,9-10,13H2,(H,26,30)
InChIKeyNEWIZHYVBXSAEC-UHFFFAOYSA-N
XLogP3.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide?
The IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide (CID 118273448) is 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide?
The canonical SMILES for 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide is O=C(NCC(=O)N1CCCC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1.
What is the InChIKey of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide?
The InChIKey is NEWIZHYVBXSAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c23-21(24)15-4-8-19(25-12-15)31-16-5-7-17-14(11-16)3-6-18(27-17)22(30)26-13-20(29)28-9-1-2-10-28/h3-8,11-12,21H,1-2,9-10,13H2,(H,26,30).
What are the key properties of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide?
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide has a molecular weight of 426.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 118273448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).