7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one

C13H15BrN2O3 — CID 136518452

IUPAC7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(OC)C(=O)N1CC(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2O3/c1-3-11(19-2)13(18)16-7-12(17)15-9-6-8(14)4-5-10(9)16/h4-6,11H,3,7H2,1-2H3,(H,15,17)
InChIKeyGCKNSQIWJNSQHF-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.16
Rot. Bonds3

About 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one

7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 136518452) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID136518452
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(OC)C(=O)N1CC(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2O3/c1-3-11(19-2)13(18)16-7-12(17)15-9-6-8(14)4-5-10(9)16/h4-6,11H,3,7H2,1-2H3,(H,15,17)
InChIKeyGCKNSQIWJNSQHF-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one (CID 136518452) is 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one is CCC(OC)C(=O)N1CC(=O)Nc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is GCKNSQIWJNSQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-3-11(19-2)13(18)16-7-12(17)15-9-6-8(14)4-5-10(9)16/h4-6,11H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one?
7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 327.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 136518452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).