N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide

C12H9F3N2O3 — CID 82574511

IUPACN-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NO)c2cc(OC(F)(F)F)ccc2n1
InChIInChI=1S/C12H9F3N2O3/c1-6-4-9(11(18)17-19)8-5-7(20-12(13,14)15)2-3-10(8)16-6/h2-5,19H,1H3,(H,17,18)
InChIKeyXRKAHMVWQYOZOZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.56
Rot. Bonds2

About N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide

N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide (PubChem CID 82574511) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
PubChem CID82574511
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC NameN-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NO)c2cc(OC(F)(F)F)ccc2n1
InChIInChI=1S/C12H9F3N2O3/c1-6-4-9(11(18)17-19)8-5-7(20-12(13,14)15)2-3-10(8)16-6/h2-5,19H,1H3,(H,17,18)
InChIKeyXRKAHMVWQYOZOZ-UHFFFAOYSA-N
XLogP2.56
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
CID 82574503
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3918730
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118171037
ethyl (E)-3-[2-methyl-6-(trifluoromethoxy)quinolin-4-yl]prop-2-enoate
CID 82580049
2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4223701
2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
2-methyl-6-[(2-methylpropan-2-yl)oxy]quinoline-4-carbothioamide
CID 82574279
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
methyl 4-bromo-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 102614396
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The IUPAC name of N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide (CID 82574511) is N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The canonical SMILES for N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide is Cc1cc(C(=O)NO)c2cc(OC(F)(F)F)ccc2n1.
What is the InChIKey of N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The InChIKey is XRKAHMVWQYOZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-6-4-9(11(18)17-19)8-5-7(20-12(13,14)15)2-3-10(8)16-6/h2-5,19H,1H3,(H,17,18).
What are the key properties of N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide is sourced from PubChem (CID 82574511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).