1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone

C12H15BrN2O — CID 84643123

IUPAC1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2cc(Br)ccc2NCC1(C)C
InChIInChI=1S/C12H15BrN2O/c1-8(16)15-11-6-9(13)4-5-10(11)14-7-12(15,2)3/h4-6,14H,7H2,1-3H3
InChIKeyLDRLWUAUPULFHK-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.01
Rot. Bonds

About 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone

1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone (PubChem CID 84643123) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
PubChem CID84643123
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
SMILESCC(=O)N1c2cc(Br)ccc2NCC1(C)C
InChIInChI=1S/C12H15BrN2O/c1-8(16)15-11-6-9(13)4-5-10(11)14-7-12(15,2)3/h4-6,14H,7H2,1-3H3
InChIKeyLDRLWUAUPULFHK-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone (CID 84643123) is 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone is CC(=O)N1c2cc(Br)ccc2NCC1(C)C.
What is the InChIKey of 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is LDRLWUAUPULFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(16)15-11-6-9(13)4-5-10(11)14-7-12(15,2)3/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone?
1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone has a molecular weight of 283.17 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 84643123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).