4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one

C12H17N3O — CID 117030686

IUPAC4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(N)CCN1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H17N3O/c1-9(13)6-7-15-8-12(16)14-10-4-2-3-5-11(10)15/h2-5,9H,6-8,13H2,1H3,(H,14,16)
InChIKeyIEYRNIBOZAYXDW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.18
Rot. Bonds3

About 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one

4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 117030686) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
PubChem CID117030686
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(N)CCN1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H17N3O/c1-9(13)6-7-15-8-12(16)14-10-4-2-3-5-11(10)15/h2-5,9H,6-8,13H2,1H3,(H,14,16)
InChIKeyIEYRNIBOZAYXDW-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one
CID 106707878
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 82774900
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
1-(3-methylbutyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117006967
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
CID 43174942
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one
CID 79772293
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one (CID 117030686) is 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one is CC(N)CCN1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is IEYRNIBOZAYXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(13)6-7-15-8-12(16)14-10-4-2-3-5-11(10)15/h2-5,9H,6-8,13H2,1H3,(H,14,16).
What are the key properties of 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one?
4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 117030686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).