1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one

C17H12ClF3N2O — CID 134851273

IUPAC1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one
SMILESO=c1c(CC(F)(F)F)nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C17H12ClF3N2O/c18-12-6-7-15-13(8-12)22-14(9-17(19,20)21)16(24)23(15)10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyWTFRLMHJWSYVCD-UHFFFAOYSA-N
MW352.74 g/mol
LogP4.20
Rot. Bonds3

About 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one

1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one (PubChem CID 134851273) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one
PubChem CID134851273
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one
SMILESO=c1c(CC(F)(F)F)nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C17H12ClF3N2O/c18-12-6-7-15-13(8-12)22-14(9-17(19,20)21)16(24)23(15)10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyWTFRLMHJWSYVCD-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
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3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]propanamide
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CID 25347872
(3,3-dimethyl-2-oxobutyl) 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate
CID 3940799
N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide
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5-benzyl-2-chloro-9-fluorophenanthridin-6-one
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one?
The IUPAC name of 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one (CID 134851273) is 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one?
The canonical SMILES for 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one is O=c1c(CC(F)(F)F)nc2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one?
The InChIKey is WTFRLMHJWSYVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-12-6-7-15-13(8-12)22-14(9-17(19,20)21)16(24)23(15)10-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one?
1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one has a molecular weight of 352.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-3-(2,2,2-trifluoroethyl)quinoxalin-2-one is sourced from PubChem (CID 134851273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).