N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide

C13H11F3N2O4 — CID 58525533

IUPACN-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(=O)NO)c(C(F)(F)F)c2cc1OC
InChIInChI=1S/C13H11F3N2O4/c1-21-9-3-6-8(4-10(9)22-2)17-5-7(12(19)18-20)11(6)13(14,15)16/h3-5,20H,1-2H3,(H,18,19)
InChIKeyUGNUGVSVJNOMBX-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.39
Rot. Bonds3

About N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide

N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 58525533) has the molecular formula C13H11F3N2O4 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID58525533
Molecular FormulaC13H11F3N2O4
Molecular Weight316.24 g/mol
Exact Mass316.07
IUPAC NameN-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(=O)NO)c(C(F)(F)F)c2cc1OC
InChIInChI=1S/C13H11F3N2O4/c1-21-9-3-6-8(4-10(9)22-2)17-5-7(12(19)18-20)11(6)13(14,15)16/h3-5,20H,1-2H3,(H,18,19)
InChIKeyUGNUGVSVJNOMBX-UHFFFAOYSA-N
XLogP2.39
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide
CID 58525552
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
4-chloro-6-methoxy-7-(3-methoxypropoxy)quinoline-3-carbonyl chloride
CID 155235624
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10116729
4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoic acid
CID 22170208
2-chloro-N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-2-fluoroacetamide
CID 166430945
2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid
CID 21003561

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide (CID 58525533) is N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide is COc1cc2ncc(C(=O)NO)c(C(F)(F)F)c2cc1OC.
What is the InChIKey of N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is UGNUGVSVJNOMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4/c1-21-9-3-6-8(4-10(9)22-2)17-5-7(12(19)18-20)11(6)13(14,15)16/h3-5,20H,1-2H3,(H,18,19).
What are the key properties of N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide?
N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 58525533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).