methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate

C19H15F3N2O4 — CID 169207093

IUPACmethyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(OCC(F)(F)F)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H15F3N2O4/c1-27-18(26)15-16(23)13-8-7-12(28-10-19(20,21)22)9-14(13)24(17(15)25)11-5-3-2-4-6-11/h2-9H,10,23H2,1H3
InChIKeyAFADKKUIGDXQCP-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.30
Rot. Bonds4

About methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate

methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate (PubChem CID 169207093) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate
PubChem CID169207093
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Namemethyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate
SMILESCOC(=O)c1c(N)c2ccc(OCC(F)(F)F)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H15F3N2O4/c1-27-18(26)15-16(23)13-8-7-12(28-10-19(20,21)22)9-14(13)24(17(15)25)11-5-3-2-4-6-11/h2-9H,10,23H2,1H3
InChIKeyAFADKKUIGDXQCP-UHFFFAOYSA-N
XLogP3.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207377
methyl 4-amino-1-(4-hydroxyphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207314
methyl 4-amino-7-(difluoromethoxy)-1-[4-(1-hydroxyethyl)phenyl]-2-oxoquinoline-3-carboxylate
CID 169207180
methyl 4-amino-6-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207169
4-(4-amino-7-bromo-3-methoxycarbonyl-2-oxoquinolin-1-yl)benzoic acid
CID 169207280
cyclopropyl 4-amino-2-oxo-1-phenyl-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207141
methyl 4-amino-1-benzyl-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207175
methyl 4-amino-1-[4-(1-hydroxyethyl)naphthalen-1-yl]-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207179
methyl 4-amino-1-(1-benzothiophen-5-yl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207148
methyl 4-amino-1-(2,4-dimethylphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207237

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate (CID 169207093) is methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate is COC(=O)c1c(N)c2ccc(OCC(F)(F)F)cc2n(-c2ccccc2)c1=O.
What is the InChIKey of methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate?
The InChIKey is AFADKKUIGDXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-27-18(26)15-16(23)13-8-7-12(28-10-19(20,21)22)9-14(13)24(17(15)25)11-5-3-2-4-6-11/h2-9H,10,23H2,1H3.
What are the key properties of methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate?
methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate has a molecular weight of 392.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate is sourced from PubChem (CID 169207093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).