ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate

C20H16F3NO3 — CID 15856838

IUPACethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cc2cccc(C(F)(F)F)c2)c2ccccc2[nH]c1=O
InChIInChI=1S/C20H16F3NO3/c1-2-27-19(26)17-15(14-8-3-4-9-16(14)24-18(17)25)11-12-6-5-7-13(10-12)20(21,22)23/h3-10H,2,11H2,1H3,(H,24,25)
InChIKeyGYOQTLTVVOLNSY-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.31
Rot. Bonds4

About ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate

ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate (PubChem CID 15856838) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate
PubChem CID15856838
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Nameethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cc2cccc(C(F)(F)F)c2)c2ccccc2[nH]c1=O
InChIInChI=1S/C20H16F3NO3/c1-2-27-19(26)17-15(14-8-3-4-9-16(14)24-18(17)25)11-12-6-5-7-13(10-12)20(21,22)23/h3-10H,2,11H2,1H3,(H,24,25)
InChIKeyGYOQTLTVVOLNSY-UHFFFAOYSA-N
XLogP4.31
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
4-Benzyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
CID 17865255
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-3-quinolinecarboxylate
CID 738703
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206
[2-(2-methylanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 2347750
ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate
CID 5730500
Ethyl 4-(butylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 652591

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate (CID 15856838) is ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate is CCOC(=O)c1c(Cc2cccc(C(F)(F)F)c2)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate?
The InChIKey is GYOQTLTVVOLNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c1-2-27-19(26)17-15(14-8-3-4-9-16(14)24-18(17)25)11-12-6-5-7-13(10-12)20(21,22)23/h3-10H,2,11H2,1H3,(H,24,25).
What are the key properties of ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate?
ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate has a molecular weight of 375.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-3-carboxylate is sourced from PubChem (CID 15856838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).