4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one

C21H18F2N4O3 — CID 118273408

IUPAC4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)CC1=O
InChIInChI=1S/C21H18F2N4O3/c1-26-8-9-27(12-19(26)28)21(29)17-5-2-13-10-15(4-6-16(13)25-17)30-18-7-3-14(11-24-18)20(22)23/h2-7,10-11,20H,8-9,12H2,1H3
InChIKeyLURCWPJNFGPOBL-UHFFFAOYSA-N
MW412.40 g/mol
LogP3.27
Rot. Bonds4

About 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one

4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one (PubChem CID 118273408) has the molecular formula C21H18F2N4O3 and a molecular weight of 412.40 g/mol. Its IUPAC name is 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one
PubChem CID118273408
Molecular FormulaC21H18F2N4O3
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC Name4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)CC1=O
InChIInChI=1S/C21H18F2N4O3/c1-26-8-9-27(12-19(26)28)21(29)17-5-2-13-10-15(4-6-16(13)25-17)30-18-7-3-14(11-24-18)20(22)23/h2-7,10-11,20H,8-9,12H2,1H3
InChIKeyLURCWPJNFGPOBL-UHFFFAOYSA-N
XLogP3.27
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one with MolForge

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Related Compounds

6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 118273829
[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-[(3R)-3-(hydroxymethyl)piperazin-1-yl]methanone
CID 118274039
tert-butyl (2S)-4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-2-(methoxymethyl)piperazine-1-carboxylate
CID 140682431
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide
CID 118273448
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide
CID 118273912
N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273964
[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273405
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506
pyrrolidine;pyrrolidin-1-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 159673625
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118274014

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one (CID 118273408) is 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)CC1=O.
What is the InChIKey of 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is LURCWPJNFGPOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3/c1-26-8-9-27(12-19(26)28)21(29)17-5-2-13-10-15(4-6-16(13)25-17)30-18-7-3-14(11-24-18)20(22)23/h2-7,10-11,20H,8-9,12H2,1H3.
What are the key properties of 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one?
4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 412.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 118273408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).