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

C15H16F3NO3 — CID 11449872

IUPACethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccc(C(F)(F)F)cc2C(=O)CC1CC
InChIInChI=1S/C15H16F3NO3/c1-3-10-8-13(20)11-7-9(15(16,17)18)5-6-12(11)19(10)14(21)22-4-2/h5-7,10H,3-4,8H2,1-2H3
InChIKeyQPKMRSRKASMEAH-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.03
Rot. Bonds2

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

ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate (PubChem CID 11449872) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate
PubChem CID11449872
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Nameethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate
SMILESCCOC(=O)N1c2ccc(C(F)(F)F)cc2C(=O)CC1CC
InChIInChI=1S/C15H16F3NO3/c1-3-10-8-13(20)11-7-9(15(16,17)18)5-6-12(11)19(10)14(21)22-4-2/h5-7,10H,3-4,8H2,1-2H3
InChIKeyQPKMRSRKASMEAH-UHFFFAOYSA-N
XLogP4.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate (CID 11449872) is ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate is CCOC(=O)N1c2ccc(C(F)(F)F)cc2C(=O)CC1CC.
What is the InChIKey of ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate?
The InChIKey is QPKMRSRKASMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-3-10-8-13(20)11-7-9(15(16,17)18)5-6-12(11)19(10)14(21)22-4-2/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate?
ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate has a molecular weight of 315.29 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-oxo-6-(trifluoromethyl)-2,3-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 11449872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).