4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one

C13H19N3O — CID 43174942

IUPAC4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(CCN)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H19N3O/c1-2-10(7-8-14)16-9-13(17)15-11-5-3-4-6-12(11)16/h3-6,10H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyHLSYBZZMUNWNJG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.57
Rot. Bonds4

About 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one

4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 43174942) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID43174942
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(CCN)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C13H19N3O/c1-2-10(7-8-14)16-9-13(17)15-11-5-3-4-6-12(11)16/h3-6,10H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyHLSYBZZMUNWNJG-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one (CID 43174942) is 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one is CCC(CCN)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is HLSYBZZMUNWNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-10(7-8-14)16-9-13(17)15-11-5-3-4-6-12(11)16/h3-6,10H,2,7-9,14H2,1H3,(H,15,17).
What are the key properties of 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one?
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 43174942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).