7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one

C12H13BrN2O — CID 117006372

IUPAC7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(C2CC2)c2cc(Br)ccc21
InChIInChI=1S/C12H13BrN2O/c1-14-7-12(16)15(9-3-4-9)11-6-8(13)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3
InChIKeyDPHRFGDJTOPZIY-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.39
Rot. Bonds1

About 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one

7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one (PubChem CID 117006372) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
PubChem CID117006372
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
SMILESCN1CC(=O)N(C2CC2)c2cc(Br)ccc21
InChIInChI=1S/C12H13BrN2O/c1-14-7-12(16)15(9-3-4-9)11-6-8(13)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3
InChIKeyDPHRFGDJTOPZIY-UHFFFAOYSA-N
XLogP2.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030394
7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117030398
1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007200
7-bromo-4-methyl-1-(3-methylbutyl)-3H-quinoxalin-2-one
CID 117006391
7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117006379
4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one
CID 117031054
7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one
CID 117006395
6-bromo-4-cyclopentyl-1,4-benzoxazin-3-one
CID 117007506
6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117006871
1-(3-amino-2,2-dimethylpropyl)-6-bromo-4-methyl-3H-quinoxalin-2-one
CID 117030990
4-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)butanoic acid
CID 117031007

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one?
The IUPAC name of 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one (CID 117006372) is 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one is CN1CC(=O)N(C2CC2)c2cc(Br)ccc21.
What is the InChIKey of 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one?
The InChIKey is DPHRFGDJTOPZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-14-7-12(16)15(9-3-4-9)11-6-8(13)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3.
What are the key properties of 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one?
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one has a molecular weight of 281.15 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117006372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).