4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione

C15H16N4O2 — CID 66068288

IUPAC4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ccc(N)c2cccnc12
InChIInChI=1S/C15H16N4O2/c1-2-11-15(21)18-13(20)8-19(11)12-6-5-10(16)9-4-3-7-17-14(9)12/h3-7,11H,2,8,16H2,1H3,(H,18,20,21)
InChIKeyNWHZRZNGCFGNFD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.06
Rot. Bonds2

About 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione

4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione (PubChem CID 66068288) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
PubChem CID66068288
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ccc(N)c2cccnc12
InChIInChI=1S/C15H16N4O2/c1-2-11-15(21)18-13(20)8-19(11)12-6-5-10(16)9-4-3-7-17-14(9)12/h3-7,11H,2,8,16H2,1H3,(H,18,20,21)
InChIKeyNWHZRZNGCFGNFD-UHFFFAOYSA-N
XLogP1.06
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione (CID 66068288) is 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1ccc(N)c2cccnc12.
What is the InChIKey of 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione?
The InChIKey is NWHZRZNGCFGNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-11-15(21)18-13(20)8-19(11)12-6-5-10(16)9-4-3-7-17-14(9)12/h3-7,11H,2,8,16H2,1H3,(H,18,20,21).
What are the key properties of 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione?
4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione has a molecular weight of 284.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).