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

C12H9F3N2O2 — CID 82574503

IUPACN-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NO)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C12H9F3N2O2/c1-6-4-9(11(18)17-19)8-5-7(12(13,14)15)2-3-10(8)16-6/h2-5,19H,1H3,(H,17,18)
InChIKeyLHOFEBZMXBFJNG-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.68
Rot. Bonds1

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

N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide (PubChem CID 82574503) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
PubChem CID82574503
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC NameN-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NO)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C12H9F3N2O2/c1-6-4-9(11(18)17-19)8-5-7(12(13,14)15)2-3-10(8)16-6/h2-5,19H,1H3,(H,17,18)
InChIKeyLHOFEBZMXBFJNG-UHFFFAOYSA-N
XLogP2.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068
methyl 2,6-bis(trifluoromethyl)quinoline-4-carboxylate
CID 125494080
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol
CID 50877449
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 160851674
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide?
The IUPAC name of N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide (CID 82574503) is N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide?
The canonical SMILES for N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NO)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide?
The InChIKey is LHOFEBZMXBFJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-6-4-9(11(18)17-19)8-5-7(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-(trifluoromethyl)quinoline-4-carboxamide?
N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide is sourced from PubChem (CID 82574503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).