3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide

C11H13N3O2 — CID 55028632

IUPAC3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
SMILESNC(=O)CCN1CC(=O)Nc2ccccc21
InChIInChI=1S/C11H13N3O2/c12-10(15)5-6-14-7-11(16)13-8-3-1-2-4-9(8)14/h1-4H,5-7H2,(H2,12,15)(H,13,16)
InChIKeyZZDZSPVGXMDIPK-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.32
Rot. Bonds3

About 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide

3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide (PubChem CID 55028632) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
PubChem CID55028632
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
SMILESNC(=O)CCN1CC(=O)Nc2ccccc21
InChIInChI=1S/C11H13N3O2/c12-10(15)5-6-14-7-11(16)13-8-3-1-2-4-9(8)14/h1-4H,5-7H2,(H2,12,15)(H,13,16)
InChIKeyZZDZSPVGXMDIPK-UHFFFAOYSA-N
XLogP0.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
CID 117030686
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64852380
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one
CID 106707878
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 140516633
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679864

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide?
The IUPAC name of 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide (CID 55028632) is 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide.
What is the SMILES notation for 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide?
The canonical SMILES for 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide is NC(=O)CCN1CC(=O)Nc2ccccc21.
What is the InChIKey of 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide?
The InChIKey is ZZDZSPVGXMDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-10(15)5-6-14-7-11(16)13-8-3-1-2-4-9(8)14/h1-4H,5-7H2,(H2,12,15)(H,13,16).
What are the key properties of 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide?
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide has a molecular weight of 219.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide is sourced from PubChem (CID 55028632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).