2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide

C17H13F3N2O4 — CID 66495557

IUPAC2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)Nc3cccc(OC(F)(F)F)c3)cc21
InChIInChI=1S/C17H13F3N2O4/c18-17(19,20)26-10-4-1-3-9(7-10)21-15(24)12-8-11-13(22-16(12)25)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6H2,(H,21,24)(H,22,25)
InChIKeyMPMYSUDGCDKRRB-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.04
Rot. Bonds3

About 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 66495557) has the molecular formula C17H13F3N2O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID66495557
Molecular FormulaC17H13F3N2O4
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC Name2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)Nc3cccc(OC(F)(F)F)c3)cc21
InChIInChI=1S/C17H13F3N2O4/c18-17(19,20)26-10-4-1-3-9(7-10)21-15(24)12-8-11-13(22-16(12)25)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6H2,(H,21,24)(H,22,25)
InChIKeyMPMYSUDGCDKRRB-UHFFFAOYSA-N
XLogP3.04
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 46552704
N-(3-chloro-4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36764947
2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 127622913
N-(2,3-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33330216
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426570
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 66495557) is 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)Nc3cccc(OC(F)(F)F)c3)cc21.
What is the InChIKey of 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is MPMYSUDGCDKRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4/c18-17(19,20)26-10-4-1-3-9(7-10)21-15(24)12-8-11-13(22-16(12)25)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6H2,(H,21,24)(H,22,25).
What are the key properties of 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 366.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 66495557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).