6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione

C16H21N3O2 — CID 83149783

IUPAC6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(C)C1CC1
InChIInChI=1S/C16H21N3O2/c1-3-17-14(9(2)10-4-5-10)11-6-7-12-13(8-11)19-16(21)15(20)18-12/h6-10,14,17H,3-5H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGCXYIBFRSBWKAC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.91
Rot. Bonds5

About 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione

6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 83149783) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID83149783
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(C)C1CC1
InChIInChI=1S/C16H21N3O2/c1-3-17-14(9(2)10-4-5-10)11-6-7-12-13(8-11)19-16(21)15(20)18-12/h6-10,14,17H,3-5H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGCXYIBFRSBWKAC-UHFFFAOYSA-N
XLogP1.91
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.91
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-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 83153990
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
5-[cyclopropyl(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490672
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83155186
2-cyclopropyl-N-ethyl-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 83149804
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-[ethylamino(furan-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490490
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61098910

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione (CID 83149783) is 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione is CCNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(C)C1CC1.
What is the InChIKey of 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is GCXYIBFRSBWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-17-14(9(2)10-4-5-10)11-6-7-12-13(8-11)19-16(21)15(20)18-12/h6-10,14,17H,3-5H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 287.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 83149783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).