methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate

C11H11BrN2O3 — CID 117030355

IUPACmethyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
SMILESCOC(=O)CN1CC(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C11H11BrN2O3/c1-17-11(16)6-14-5-10(15)13-8-3-2-7(12)4-9(8)14/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyNRVVDCMIDORQSF-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.38
Rot. Bonds2

About methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate

methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate (PubChem CID 117030355) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
PubChem CID117030355
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Namemethyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
SMILESCOC(=O)CN1CC(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C11H11BrN2O3/c1-17-11(16)6-14-5-10(15)13-8-3-2-7(12)4-9(8)14/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyNRVVDCMIDORQSF-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate with MolForge

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Related Compounds

6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117030329
6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117006335
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679864
7-bromo-4-pentyl-1,3-dihydroquinoxalin-2-one
CID 117006831
3-(6-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)-2-methylpropanoic acid
CID 117030953
cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 142508064
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630
7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one
CID 136518452
6-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
CID 79296050
4-ethyl-6-fluoro-1,3-dihydroquinoxalin-2-one
CID 79296211
6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 79290624

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate?
The IUPAC name of methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate (CID 117030355) is methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate.
What is the SMILES notation for methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate?
The canonical SMILES for methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate is COC(=O)CN1CC(=O)Nc2ccc(Br)cc21.
What is the InChIKey of methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate?
The InChIKey is NRVVDCMIDORQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-17-11(16)6-14-5-10(15)13-8-3-2-7(12)4-9(8)14/h2-4H,5-6H2,1H3,(H,13,15).
What are the key properties of methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate?
methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate has a molecular weight of 299.12 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate is sourced from PubChem (CID 117030355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).