1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide

C17H19F3N2O3 — CID 30133526

IUPAC1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCCOC)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H19F3N2O3/c1-3-22-10-13(16(24)21-7-4-8-25-2)15(23)12-9-11(17(18,19)20)5-6-14(12)22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,24)
InChIKeyRSFVVJDRAPGEKR-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.81
Rot. Bonds6

About 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide

1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 30133526) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID30133526
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCCOC)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H19F3N2O3/c1-3-22-10-13(16(24)21-7-4-8-25-2)15(23)12-9-11(17(18,19)20)5-6-14(12)22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,24)
InChIKeyRSFVVJDRAPGEKR-UHFFFAOYSA-N
XLogP2.81
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.81
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

1-ethyl-N-[(2S)-1-methoxypropan-2-yl]-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133768
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
6-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-N-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 5307227
N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133766
1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
CID 43888780
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133604
N-(4-bromo-2-fluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133617
1-ethyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133803
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide (CID 30133526) is 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCCCOC)c(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is RSFVVJDRAPGEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-3-22-10-13(16(24)21-7-4-8-25-2)15(23)12-9-11(17(18,19)20)5-6-14(12)22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,24).
What are the key properties of 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 30133526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).