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

C13H14F3N3O2 — CID 43490510

IUPAC6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCNC(CC(F)(F)F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H14F3N3O2/c1-2-17-10(6-13(14,15)16)7-3-4-8-9(5-7)19-12(21)11(20)18-8/h3-5,10,17H,2,6H2,1H3,(H,18,20)(H,19,21)
InChIKeyMSVOVARMLXCBCM-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.82
Rot. Bonds4

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

6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43490510) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43490510
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCNC(CC(F)(F)F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H14F3N3O2/c1-2-17-10(6-13(14,15)16)7-3-4-8-9(5-7)19-12(21)11(20)18-8/h3-5,10,17H,2,6H2,1H3,(H,18,20)(H,19,21)
InChIKeyMSVOVARMLXCBCM-UHFFFAOYSA-N
XLogP1.82
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.82
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

6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
CID 43488899
1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43488017
6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495871
5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one
CID 62298672
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one
CID 43490689
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483374
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 103207310
6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
CID 62678408

Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43490510) is 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione is CCNC(CC(F)(F)F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is MSVOVARMLXCBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-2-17-10(6-13(14,15)16)7-3-4-8-9(5-7)19-12(21)11(20)18-8/h3-5,10,17H,2,6H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 301.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43490510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).