1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide

C18H19F3N2O3 — CID 43888780

IUPAC1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H19F3N2O3/c1-2-23-10-14(17(25)22-9-12-4-3-7-26-12)16(24)13-8-11(18(19,20)21)5-6-15(13)23/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,22,25)
InChIKeyBUZKLSQYYCAWAS-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.95
Rot. Bonds4

About 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide

1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 43888780) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID43888780
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H19F3N2O3/c1-2-23-10-14(17(25)22-9-12-4-3-7-26-12)16(24)13-8-11(18(19,20)21)5-6-15(13)23/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,22,25)
InChIKeyBUZKLSQYYCAWAS-UHFFFAOYSA-N
XLogP2.95
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133526
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
1-ethyl-N-[(2S)-1-methoxypropan-2-yl]-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133768
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-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]acetamide
CID 164637207
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132441
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-ethylindole-3-carboxylate
CID 42890150
N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 3926906
3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103988
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide (CID 43888780) is 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is BUZKLSQYYCAWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-2-23-10-14(17(25)22-9-12-4-3-7-26-12)16(24)13-8-11(18(19,20)21)5-6-15(13)23/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,22,25).
What are the key properties of 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide?
1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 43888780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).