N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide

C21H19F3N2O3 — CID 26177646

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H19F3N2O3/c1-13-11-16(15-5-3-4-6-17(15)25-13)20(27)26-18-12-14(21(22,23)24)7-8-19(18)29-10-9-28-2/h3-8,11-12H,9-10H2,1-2H3,(H,26,27)
InChIKeyMQHSEUWCURJIMI-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.84
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide (PubChem CID 26177646) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
PubChem CID26177646
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H19F3N2O3/c1-13-11-16(15-5-3-4-6-17(15)25-13)20(27)26-18-12-14(21(22,23)24)7-8-19(18)29-10-9-28-2/h3-8,11-12H,9-10H2,1-2H3,(H,26,27)
InChIKeyMQHSEUWCURJIMI-UHFFFAOYSA-N
XLogP4.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55466432
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17417002
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 29298199
(E)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 26177460
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78858550
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532465
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide (CID 26177646) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide?
The InChIKey is MQHSEUWCURJIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-13-11-16(15-5-3-4-6-17(15)25-13)20(27)26-18-12-14(21(22,23)24)7-8-19(18)29-10-9-28-2/h3-8,11-12H,9-10H2,1-2H3,(H,26,27).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 26177646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).