6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

C17H17N3O2 — CID 43823405

IUPAC6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1ccc(C(N)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-10-3-5-11(6-4-10)15(18)12-7-8-13-14(9-12)20-17(22)16(21)19-13/h3-9,15H,2,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyZLQYDKVUECFRHG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.83
Rot. Bonds3

About 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43823405) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43823405
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1ccc(C(N)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-10-3-5-11(6-4-10)15(18)12-7-8-13-14(9-12)20-17(22)16(21)19-13/h3-9,15H,2,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyZLQYDKVUECFRHG-UHFFFAOYSA-N
XLogP1.83
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.83
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-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43097312
6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
CID 62678408
6-[1-amino-2-(4-fluorophenyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43823397
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832
6-[amino(thiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43464020
6-[amino-(4,5-dimethylthiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 65237738
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
CID 82389538
6-[amino-(5-bromothiophen-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43464018
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
6-[amino-(2-methylcyclopropyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43186781

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43823405) is 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is CCc1ccc(C(N)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1.
What is the InChIKey of 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is ZLQYDKVUECFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-10-3-5-11(6-4-10)15(18)12-7-8-13-14(9-12)20-17(22)16(21)19-13/h3-9,15H,2,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 295.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-ethylphenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43823405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).