Methyl 2-[[1-[[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoate

HCID 66701239

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1OCc1ccc2nc(C(F)(F)F)cc(Cl)c2c1
InChIKey: VAUBJHRVPDNDTM-UHFFFAOYSA-N
Molecular formula: C27H22ClF3N2O4
Average molar mass: 530.9 g/mol
Monoisotopic mass: 530.1220194

Names & identifiers

Preferred name: Methyl 2-[[1-[[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoate
IUPAC: methyl 2-[[1-[[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoate

Names & synonyms

SCHEMBL485644VAUBJHRVPDNDTM-UHFFFAOYSA-Nmethyl 2-[[1-[[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoate

Database identifiers

PubChem CID: 66701239

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 77.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 37
Formal charge: 0
Complexity: 826

Related reactions

1 records

New reaction record

HRID 2124634As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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