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

C16H21N3O2 — CID 103162895

IUPAC6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCNC(CC1CCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H21N3O2/c1-2-17-13(8-10-4-3-5-10)11-6-7-12-14(9-11)19-16(21)15(20)18-12/h6-7,9-10,13,17H,2-5,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyFDCDFQJYRYGYMP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.06
Rot. Bonds5

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

6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 103162895) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID103162895
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCNC(CC1CCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H21N3O2/c1-2-17-13(8-10-4-3-5-10)11-6-7-12-14(9-11)19-16(21)15(20)18-12/h6-7,9-10,13,17H,2-5,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyFDCDFQJYRYGYMP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
CID 115482308
1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162893
5-[cyclopropyl(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490672
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495871
2-cyclohexyl-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755115
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62374056

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione (CID 103162895) is 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione is CCNC(CC1CCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is FDCDFQJYRYGYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-17-13(8-10-4-3-5-10)11-6-7-12-14(9-11)19-16(21)15(20)18-12/h6-7,9-10,13,17H,2-5,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 287.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 103162895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).