8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one

C18H19BrFN3O — CID 146302274

IUPAC8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
SMILESCN(Cc1ccccc1)c1cc(Br)c(F)c2c1NC(=O)C(C)(C)N2
InChIInChI=1S/C18H19BrFN3O/c1-18(2)17(24)21-15-13(9-12(19)14(20)16(15)22-18)23(3)10-11-7-5-4-6-8-11/h4-9,22H,10H2,1-3H3,(H,21,24)
InChIKeyUQFUPQFODPGXOT-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.37
Rot. Bonds3

About 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one

8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one (PubChem CID 146302274) has the molecular formula C18H19BrFN3O and a molecular weight of 392.27 g/mol. Its IUPAC name is 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
PubChem CID146302274
Molecular FormulaC18H19BrFN3O
Molecular Weight392.27 g/mol
Exact Mass391.07
IUPAC Name8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
SMILESCN(Cc1ccccc1)c1cc(Br)c(F)c2c1NC(=O)C(C)(C)N2
InChIInChI=1S/C18H19BrFN3O/c1-18(2)17(24)21-15-13(9-12(19)14(20)16(15)22-18)23(3)10-11-7-5-4-6-8-11/h4-9,22H,10H2,1-3H3,(H,21,24)
InChIKeyUQFUPQFODPGXOT-UHFFFAOYSA-N
XLogP4.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The IUPAC name of 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one (CID 146302274) is 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The canonical SMILES for 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one is CN(Cc1ccccc1)c1cc(Br)c(F)c2c1NC(=O)C(C)(C)N2.
What is the InChIKey of 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The InChIKey is UQFUPQFODPGXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O/c1-18(2)17(24)21-15-13(9-12(19)14(20)16(15)22-18)23(3)10-11-7-5-4-6-8-11/h4-9,22H,10H2,1-3H3,(H,21,24).
What are the key properties of 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one has a molecular weight of 392.27 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[benzyl(methyl)amino]-6-bromo-5-fluoro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 146302274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).