6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one

C16H13F3N4O2 — CID 170748647

IUPAC6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one
SMILESC[C@@H](c1cccc(OC(F)(F)F)n1)n1c(=O)cnc2cc(N)ccc21
InChIInChI=1S/C16H13F3N4O2/c1-9(11-3-2-4-14(22-11)25-16(17,18)19)23-13-6-5-10(20)7-12(13)21-8-15(23)24/h2-9H,20H2,1H3/t9-/m0/s1
InChIKeyPFXXQZOGAJZSPO-VIFPVBQESA-N
MW350.30 g/mol
LogP2.88
Rot. Bonds3

About 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one

6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one (PubChem CID 170748647) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one
PubChem CID170748647
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one
SMILESC[C@@H](c1cccc(OC(F)(F)F)n1)n1c(=O)cnc2cc(N)ccc21
InChIInChI=1S/C16H13F3N4O2/c1-9(11-3-2-4-14(22-11)25-16(17,18)19)23-13-6-5-10(20)7-12(13)21-8-15(23)24/h2-9H,20H2,1H3/t9-/m0/s1
InChIKeyPFXXQZOGAJZSPO-VIFPVBQESA-N
XLogP2.88
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one?
The IUPAC name of 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one (CID 170748647) is 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one.
What is the SMILES notation for 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one?
The canonical SMILES for 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one is C[C@@H](c1cccc(OC(F)(F)F)n1)n1c(=O)cnc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one?
The InChIKey is PFXXQZOGAJZSPO-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-9(11-3-2-4-14(22-11)25-16(17,18)19)23-13-6-5-10(20)7-12(13)21-8-15(23)24/h2-9H,20H2,1H3/t9-/m0/s1.
What are the key properties of 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one?
6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one has a molecular weight of 350.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(1S)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethyl]quinoxalin-2-one is sourced from PubChem (CID 170748647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).