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

C15H21N3O2 — CID 43495871

IUPAC6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCNC(CCC)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-3-5-11(16-8-4-2)10-6-7-12-13(9-10)18-15(20)14(19)17-12/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXZTKQJVXJVBWBW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.06
Rot. Bonds6

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

6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43495871) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43495871
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCNC(CCC)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-3-5-11(16-8-4-2)10-6-7-12-13(9-10)18-15(20)14(19)17-12/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXZTKQJVXJVBWBW-UHFFFAOYSA-N
XLogP2.06
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483366
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483374
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
6-[1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 43497611
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016

Frequently Asked Questions

What is the IUPAC name of 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43495871) is 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione is CCCNC(CCC)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is XZTKQJVXJVBWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-5-11(16-8-4-2)10-6-7-12-13(9-10)18-15(20)14(19)17-12/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 275.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43495871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).