8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

C13H17BrN2O — CID 84644433

IUPAC8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1cc(Br)c2c(c1)NC(C(C)C)C(=O)N2C
InChIInChI=1S/C13H17BrN2O/c1-7(2)11-13(17)16(4)12-9(14)5-8(3)6-10(12)15-11/h5-7,11,15H,1-4H3
InChIKeyLKSYQENRWOQKBE-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.17
Rot. Bonds1

About 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 84644433) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID84644433
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCc1cc(Br)c2c(c1)NC(C(C)C)C(=O)N2C
InChIInChI=1S/C13H17BrN2O/c1-7(2)11-13(17)16(4)12-9(14)5-8(3)6-10(12)15-11/h5-7,11,15H,1-4H3
InChIKeyLKSYQENRWOQKBE-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84622977
1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84623020
5-bromo-2,4,7-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84635598
6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629259
5-methyl-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157944
6-ethyl-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84627150
8-bromo-4,6-dimethyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82234091
1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
CID 82157709
2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157200
1-(3-bromo-4-methylphenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970829
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 84644433) is 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is Cc1cc(Br)c2c(c1)NC(C(C)C)C(=O)N2C.
What is the InChIKey of 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is LKSYQENRWOQKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-7(2)11-13(17)16(4)12-9(14)5-8(3)6-10(12)15-11/h5-7,11,15H,1-4H3.
What are the key properties of 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 297.20 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84644433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).