N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide

C16H17F2N3O3 — CID 166299903

IUPACN'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide
SMILESCN(C(=O)C(=O)Nc1ccc2ncccc2c1)C(CCO)C(F)F
InChIInChI=1S/C16H17F2N3O3/c1-21(13(6-8-22)14(17)18)16(24)15(23)20-11-4-5-12-10(9-11)3-2-7-19-12/h2-5,7,9,13-14,22H,6,8H2,1H3,(H,20,23)
InChIKeyBCVDSSUTVHLOJO-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.65
Rot. Bonds5

About N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide

N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide (PubChem CID 166299903) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide.

Molecular Properties

Compound NameN'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide
PubChem CID166299903
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC NameN'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide
SMILESCN(C(=O)C(=O)Nc1ccc2ncccc2c1)C(CCO)C(F)F
InChIInChI=1S/C16H17F2N3O3/c1-21(13(6-8-22)14(17)18)16(24)15(23)20-11-4-5-12-10(9-11)3-2-7-19-12/h2-5,7,9,13-14,22H,6,8H2,1H3,(H,20,23)
InChIKeyBCVDSSUTVHLOJO-UHFFFAOYSA-N
XLogP1.65
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-(cyanomethyl)-N'-quinolin-6-yloxamide
CID 62634263
N'-methyl-N'-propan-2-yl-N-quinoxalin-6-yloxamide
CID 99716975
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
N-quinolin-6-ylbenzamide
CID 833617
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
CID 173104431
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide?
The IUPAC name of N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide (CID 166299903) is N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide.
What is the SMILES notation for N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide?
The canonical SMILES for N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide is CN(C(=O)C(=O)Nc1ccc2ncccc2c1)C(CCO)C(F)F.
What is the InChIKey of N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide?
The InChIKey is BCVDSSUTVHLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-21(13(6-8-22)14(17)18)16(24)15(23)20-11-4-5-12-10(9-11)3-2-7-19-12/h2-5,7,9,13-14,22H,6,8H2,1H3,(H,20,23).
What are the key properties of N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide?
N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide has a molecular weight of 337.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-difluoro-4-hydroxybutan-2-yl)-N'-methyl-N-quinolin-6-yloxamide is sourced from PubChem (CID 166299903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).