N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide

C25H15F3N4O2 — CID 58154508

IUPACN-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
SMILESO=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cnc2ccccc2n1
InChIInChI=1S/C25H15F3N4O2/c26-25(27,28)34-17-7-3-6-16(13-17)18-12-11-15-5-4-10-21(23(15)31-18)32-24(33)22-14-29-19-8-1-2-9-20(19)30-22/h1-14H,(H,32,33)
InChIKeyYXFNBKUSTFPMMG-UHFFFAOYSA-N
MW460.42 g/mol
LogP6.00
Rot. Bonds4

About N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide

N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide (PubChem CID 58154508) has the molecular formula C25H15F3N4O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
PubChem CID58154508
Molecular FormulaC25H15F3N4O2
Molecular Weight460.42 g/mol
Exact Mass460.11
IUPAC NameN-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
SMILESO=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cnc2ccccc2n1
InChIInChI=1S/C25H15F3N4O2/c26-25(27,28)34-17-7-3-6-16(13-17)18-12-11-15-5-4-10-21(23(15)31-18)32-24(33)22-14-29-19-8-1-2-9-20(19)30-22/h1-14H,(H,32,33)
InChIKeyYXFNBKUSTFPMMG-UHFFFAOYSA-N
XLogP6.00
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.42
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-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 N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide (CID 58154508) is N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide is O=C(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide?
The InChIKey is YXFNBKUSTFPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N4O2/c26-25(27,28)34-17-7-3-6-16(13-17)18-12-11-15-5-4-10-21(23(15)31-18)32-24(33)22-14-29-19-8-1-2-9-20(19)30-22/h1-14H,(H,32,33).
What are the key properties of N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide?
N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 58154508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).