6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one

C17H15BrF2N2O — CID 90241859

IUPAC6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
SMILESCC1C(=O)N(C)c2ccc(Br)cc2N1Cc1c(F)cccc1F
InChIInChI=1S/C17H15BrF2N2O/c1-10-17(23)21(2)15-7-6-11(18)8-16(15)22(10)9-12-13(19)4-3-5-14(12)20/h3-8,10H,9H2,1-2H3
InChIKeyLBMXOJQWKLSTJZ-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.10
Rot. Bonds2

About 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one

6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one (PubChem CID 90241859) has the molecular formula C17H15BrF2N2O and a molecular weight of 381.22 g/mol. Its IUPAC name is 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
PubChem CID90241859
Molecular FormulaC17H15BrF2N2O
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
SMILESCC1C(=O)N(C)c2ccc(Br)cc2N1Cc1c(F)cccc1F
InChIInChI=1S/C17H15BrF2N2O/c1-10-17(23)21(2)15-7-6-11(18)8-16(15)22(10)9-12-13(19)4-3-5-14(12)20/h3-8,10H,9H2,1-2H3
InChIKeyLBMXOJQWKLSTJZ-UHFFFAOYSA-N
XLogP4.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one?
The IUPAC name of 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one (CID 90241859) is 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one is CC1C(=O)N(C)c2ccc(Br)cc2N1Cc1c(F)cccc1F.
What is the InChIKey of 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one?
The InChIKey is LBMXOJQWKLSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O/c1-10-17(23)21(2)15-7-6-11(18)8-16(15)22(10)9-12-13(19)4-3-5-14(12)20/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one?
6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one has a molecular weight of 381.22 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(2,6-difluorophenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one is sourced from PubChem (CID 90241859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).