6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide

C21H19F2N3O3S — CID 118273912

IUPAC6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide
SMILESO=C(NC1CCS(=O)CC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1
InChIInChI=1S/C21H19F2N3O3S/c22-20(23)14-2-6-19(24-12-14)29-16-3-5-17-13(11-16)1-4-18(26-17)21(27)25-15-7-9-30(28)10-8-15/h1-6,11-12,15,20H,7-10H2,(H,25,27)
InChIKeyVSLLCYNGJLPGNO-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.00
Rot. Bonds5

About 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide

6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide (PubChem CID 118273912) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide
PubChem CID118273912
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC Name6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide
SMILESO=C(NC1CCS(=O)CC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1
InChIInChI=1S/C21H19F2N3O3S/c22-20(23)14-2-6-19(24-12-14)29-16-3-5-17-13(11-16)1-4-18(26-17)21(27)25-15-7-9-30(28)10-8-15/h1-6,11-12,15,20H,7-10H2,(H,25,27)
InChIKeyVSLLCYNGJLPGNO-UHFFFAOYSA-N
XLogP4.00
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-difluorocyclohexyl)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273964
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-methyl-5-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 118273829
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-2-carboxamide
CID 118273448
4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one
CID 118273408
N-(2-hydroxycyclopentyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118295367
[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-[(3R)-3-(hydroxymethyl)piperazin-1-yl]methanone
CID 118274039
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
CID 141469337
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273342
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273326
tert-butyl (2S)-4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-2-(methoxymethyl)piperazine-1-carboxylate
CID 140682431
N-[[(2R)-pyrrolidin-2-yl]methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273479
N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273488

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide?
The IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide (CID 118273912) is 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide is O=C(NC1CCS(=O)CC1)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1.
What is the InChIKey of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide?
The InChIKey is VSLLCYNGJLPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c22-20(23)14-2-6-19(24-12-14)29-16-3-5-17-13(11-16)1-4-18(26-17)21(27)25-15-7-9-30(28)10-8-15/h1-6,11-12,15,20H,7-10H2,(H,25,27).
What are the key properties of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide?
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-N-(1-oxothian-4-yl)quinoline-2-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.00, 5 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-(1-oxothian-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 118273912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).