3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione

C14H13F3N2O3 — CID 154865870

IUPAC3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)N3CCC3C(F)(F)F)cc21
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)11-4-5-19(11)13(22)8-6-7-9(18-12(8)21)2-1-3-10(7)20/h6,11H,1-5H2,(H,18,21)
InChIKeyJGOHNICAKIQHFU-UHFFFAOYSA-N
MW314.26 g/mol
LogP1.67
Rot. Bonds1

About 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione

3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 154865870) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID154865870
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)N3CCC3C(F)(F)F)cc21
InChIInChI=1S/C14H13F3N2O3/c15-14(16,17)11-4-5-19(11)13(22)8-6-7-9(18-12(8)21)2-1-3-10(7)20/h6,11H,1-5H2,(H,18,21)
InChIKeyJGOHNICAKIQHFU-UHFFFAOYSA-N
XLogP1.67
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione 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 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 154865870) is 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1CCCc2[nH]c(=O)c(C(=O)N3CCC3C(F)(F)F)cc21.
What is the InChIKey of 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is JGOHNICAKIQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c15-14(16,17)11-4-5-19(11)13(22)8-6-7-9(18-12(8)21)2-1-3-10(7)20/h6,11H,1-5H2,(H,18,21).
What are the key properties of 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 314.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)azetidine-1-carbonyl]-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 154865870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).