N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide

C16H10F3N3O2 — CID 2226431

IUPACN-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)22-15(23)10-1-6-13-14(9-10)21-8-7-20-13/h1-9H,(H,22,23)
InChIKeyMFHDXYOVGYHQMG-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.78
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide

N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide (PubChem CID 2226431) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide
PubChem CID2226431
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC NameN-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)22-15(23)10-1-6-13-14(9-10)21-8-7-20-13/h1-9H,(H,22,23)
InChIKeyMFHDXYOVGYHQMG-UHFFFAOYSA-N
XLogP3.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide (CID 2226431) is N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nccnc2c1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide?
The InChIKey is MFHDXYOVGYHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)22-15(23)10-1-6-13-14(9-10)21-8-7-20-13/h1-9H,(H,22,23).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide?
N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 2226431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).