(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C16H17F3N2O3 — CID 96510071

IUPAC(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)OCC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C16H17F3N2O3/c1-10(24-9-16(17,18)19)15(22)20-8-11-7-14(23-2)21-13-6-4-3-5-12(11)13/h3-7,10H,8-9H2,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyJUKFNHODLZJCIY-JTQLQIEISA-N
MW342.32 g/mol
LogP2.83
Rot. Bonds6

About (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 96510071) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID96510071
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)OCC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C16H17F3N2O3/c1-10(24-9-16(17,18)19)15(22)20-8-11-7-14(23-2)21-13-6-4-3-5-12(11)13/h3-7,10H,8-9H2,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyJUKFNHODLZJCIY-JTQLQIEISA-N
XLogP2.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxyquinolin-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003996
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565858
1-[(1S)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565857
N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 155949082
4-[(2-methoxyquinolin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 167758245
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87005494
2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
CID 136533990
(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94204725
(2S)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943795
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94353106
5-(methoxymethyl)-N-[(2-methoxyquinolin-4-yl)methyl]furan-2-carboxamide
CID 71998445
(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943721

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 96510071) is (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is COc1cc(CNC(=O)[C@H](C)OCC(F)(F)F)c2ccccc2n1.
What is the InChIKey of (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JUKFNHODLZJCIY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-10(24-9-16(17,18)19)15(22)20-8-11-7-14(23-2)21-13-6-4-3-5-12(11)13/h3-7,10H,8-9H2,1-2H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 342.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxyquinolin-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 96510071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).