ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate

C20H16F3NO5 — CID 71455219

IUPACethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C20H16F3NO5/c1-3-28-19(26)16-17(11-5-4-6-13(9-11)29-20(21,22)23)24-15-10-12(27-2)7-8-14(15)18(16)25/h4-10H,3H2,1-2H3,(H,24,25)
InChIKeyLRSYUKWMVWRSPO-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.28
Rot. Bonds5

About ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate

ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate (PubChem CID 71455219) has the molecular formula C20H16F3NO5 and a molecular weight of 407.34 g/mol. Its IUPAC name is ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate
PubChem CID71455219
Molecular FormulaC20H16F3NO5
Molecular Weight407.34 g/mol
Exact Mass407.10
IUPAC Nameethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C20H16F3NO5/c1-3-28-19(26)16-17(11-5-4-6-13(9-11)29-20(21,22)23)24-15-10-12(27-2)7-8-14(15)18(16)25/h4-10H,3H2,1-2H3,(H,24,25)
InChIKeyLRSYUKWMVWRSPO-UHFFFAOYSA-N
XLogP4.28
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Decoquinate
CID 29112
Nequinate
CID 26383
Buquinolate
CID 21651
Ethyl 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 228284
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
6-Butyl-4-hydroxy-3-methoxycarbonyl-7-beta-phenoxyethoxyquinoline
CID 193550
6-fluoro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 86573311
ethyl 6-butyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 132553883
methyl 4-oxo-6-pentyl-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877888
methyl 6-ethyl-4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877891
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877893
methyl 4-oxo-7-(2-phenoxyethoxy)-6-propyl-1H-quinoline-3-carboxylate
CID 140877917

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate (CID 71455219) is ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate?
The InChIKey is LRSYUKWMVWRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO5/c1-3-28-19(26)16-17(11-5-4-6-13(9-11)29-20(21,22)23)24-15-10-12(27-2)7-8-14(15)18(16)25/h4-10H,3H2,1-2H3,(H,24,25).
What are the key properties of ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate?
ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate has a molecular weight of 407.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-4-oxo-2-[3-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71455219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).