ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate

C14H14F3NO3 — CID 155932393

IUPACethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate
SMILESCCOC(=O)C1CC(=O)N(C)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H14F3NO3/c1-3-21-13(20)10-7-12(19)18(2)11-5-4-8(6-9(10)11)14(15,16)17/h4-6,10H,3,7H2,1-2H3
InChIKeyHDPKOKHSTYXQJH-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.72
Rot. Bonds2

About ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate

ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate (PubChem CID 155932393) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate
PubChem CID155932393
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Nameethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate
SMILESCCOC(=O)C1CC(=O)N(C)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H14F3NO3/c1-3-21-13(20)10-7-12(19)18(2)11-5-4-8(6-9(10)11)14(15,16)17/h4-6,10H,3,7H2,1-2H3
InChIKeyHDPKOKHSTYXQJH-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate?
The IUPAC name of ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate (CID 155932393) is ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate is CCOC(=O)C1CC(=O)N(C)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate?
The InChIKey is HDPKOKHSTYXQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-3-21-13(20)10-7-12(19)18(2)11-5-4-8(6-9(10)11)14(15,16)17/h4-6,10H,3,7H2,1-2H3.
What are the key properties of ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate?
ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate has a molecular weight of 301.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydroquinoline-4-carboxylate is sourced from PubChem (CID 155932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).