2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide

C18H15F3N2O4 — CID 46552704

IUPAC2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc(OCC(F)(F)F)cc3)cc21
InChIInChI=1S/C18H15F3N2O4/c19-18(20,21)9-27-11-6-4-10(5-7-11)22-16(25)13-8-12-14(23-17(13)26)2-1-3-15(12)24/h4-8H,1-3,9H2,(H,22,25)(H,23,26)
InChIKeyVQAYWIGXQGNCRY-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.09
Rot. Bonds4

About 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 46552704) has the molecular formula C18H15F3N2O4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID46552704
Molecular FormulaC18H15F3N2O4
Molecular Weight380.32 g/mol
Exact Mass380.10
IUPAC Name2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc(OCC(F)(F)F)cc3)cc21
InChIInChI=1S/C18H15F3N2O4/c19-18(20,21)9-27-11-6-4-10(5-7-11)22-16(25)13-8-12-14(23-17(13)26)2-1-3-15(12)24/h4-8H,1-3,9H2,(H,22,25)(H,23,26)
InChIKeyVQAYWIGXQGNCRY-UHFFFAOYSA-N
XLogP3.09
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 46552704) is 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc(OCC(F)(F)F)cc3)cc21.
What is the InChIKey of 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is VQAYWIGXQGNCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O4/c19-18(20,21)9-27-11-6-4-10(5-7-11)22-16(25)13-8-12-14(23-17(13)26)2-1-3-15(12)24/h4-8H,1-3,9H2,(H,22,25)(H,23,26).
What are the key properties of 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 380.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 46552704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).