N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide

C20H17F3N2O3 — CID 58525552

IUPACN-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1cc(CCc2ccccc2)cc2c(C(F)(F)F)c(C(=O)NO)cnc12
InChIInChI=1S/C20H17F3N2O3/c1-28-16-10-13(8-7-12-5-3-2-4-6-12)9-14-17(20(21,22)23)15(19(26)25-27)11-24-18(14)16/h2-6,9-11,27H,7-8H2,1H3,(H,25,26)
InChIKeyZSCCOTRTLKLTOG-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.17
Rot. Bonds5

About N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide

N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 58525552) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID58525552
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1cc(CCc2ccccc2)cc2c(C(F)(F)F)c(C(=O)NO)cnc12
InChIInChI=1S/C20H17F3N2O3/c1-28-16-10-13(8-7-12-5-3-2-4-6-12)9-14-17(20(21,22)23)15(19(26)25-27)11-24-18(14)16/h2-6,9-11,27H,7-8H2,1H3,(H,25,26)
InChIKeyZSCCOTRTLKLTOG-UHFFFAOYSA-N
XLogP4.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.17
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-6,7-dimethoxy-4-(trifluoromethyl)quinoline-3-carboxamide
CID 58525533
6-[3-(3-chlorophenyl)-2-oxopropyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide
CID 58525526
2,2,2-trifluoro-1-[3-(methoxymethyl)-4-(trifluoromethyl)benzo[h]quinolin-6-yl]ethanone
CID 102447069
8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779833
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612
3-[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]propanoic acid
CID 20993010
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
3-bromo-5-methoxy-4-(2-phenylethoxy)benzoic acid
CID 22684628
1-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921510
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide (CID 58525552) is N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide is COc1cc(CCc2ccccc2)cc2c(C(F)(F)F)c(C(=O)NO)cnc12.
What is the InChIKey of N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is ZSCCOTRTLKLTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-28-16-10-13(8-7-12-5-3-2-4-6-12)9-14-17(20(21,22)23)15(19(26)25-27)11-24-18(14)16/h2-6,9-11,27H,7-8H2,1H3,(H,25,26).
What are the key properties of N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide?
N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-methoxy-6-(2-phenylethyl)-4-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 58525552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).