1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one

C16H11BrF2N2O — CID 164577875

IUPAC1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one
SMILESO=c1c(C(F)F)nc2ccc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C16H11BrF2N2O/c17-11-6-7-12-13(8-11)21(9-10-4-2-1-3-5-10)16(22)14(20-12)15(18)19/h1-8,15H,9H2
InChIKeyPZZTYYQYHINDIA-UHFFFAOYSA-N
MW365.18 g/mol
LogP4.14
Rot. Bonds3

About 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one

1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one (PubChem CID 164577875) has the molecular formula C16H11BrF2N2O and a molecular weight of 365.18 g/mol. Its IUPAC name is 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one
PubChem CID164577875
Molecular FormulaC16H11BrF2N2O
Molecular Weight365.18 g/mol
Exact Mass364.00
IUPAC Name1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one
SMILESO=c1c(C(F)F)nc2ccc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C16H11BrF2N2O/c17-11-6-7-12-13(8-11)21(9-10-4-2-1-3-5-10)16(22)14(20-12)15(18)19/h1-8,15H,9H2
InChIKeyPZZTYYQYHINDIA-UHFFFAOYSA-N
XLogP4.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one?
The IUPAC name of 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one (CID 164577875) is 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one?
The canonical SMILES for 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one is O=c1c(C(F)F)nc2ccc(Br)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one?
The InChIKey is PZZTYYQYHINDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2O/c17-11-6-7-12-13(8-11)21(9-10-4-2-1-3-5-10)16(22)14(20-12)15(18)19/h1-8,15H,9H2.
What are the key properties of 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one?
1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one has a molecular weight of 365.18 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-bromo-3-(difluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 164577875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).