6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione

C13H17N3O2 — CID 43495873

IUPAC6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCNC(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-3-6-14-8(2)9-4-5-10-11(7-9)16-13(18)12(17)15-10/h4-5,7-8,14H,3,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFZHCCTSASWWYHH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.28
Rot. Bonds4

About 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione

6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43495873) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43495873
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCNC(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-3-6-14-8(2)9-4-5-10-11(7-9)16-13(18)12(17)15-10/h4-5,7-8,14H,3,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFZHCCTSASWWYHH-UHFFFAOYSA-N
XLogP1.28
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495871
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483366
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103911495
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62977011
5-[1-[(1-ethylpyrrol-3-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 66416326
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783
5-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103910694

Frequently Asked Questions

What is the IUPAC name of 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43495873) is 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione is CCCNC(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is FZHCCTSASWWYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-6-14-8(2)9-4-5-10-11(7-9)16-13(18)12(17)15-10/h4-5,7-8,14H,3,6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 247.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43495873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).