2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C19H22N4O2 — CID 154742252

IUPAC2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCCc1cc(N2CCN3C(=O)N(CC)C(=O)C3C2)c2ccccc2n1
InChIInChI=1S/C19H22N4O2/c1-3-13-11-16(14-7-5-6-8-15(14)20-13)21-9-10-23-17(12-21)18(24)22(4-2)19(23)25/h5-8,11,17H,3-4,9-10,12H2,1-2H3
InChIKeyOUSKHGCRDBYGAB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.27
Rot. Bonds3

About 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 154742252) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID154742252
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCCc1cc(N2CCN3C(=O)N(CC)C(=O)C3C2)c2ccccc2n1
InChIInChI=1S/C19H22N4O2/c1-3-13-11-16(14-7-5-6-8-15(14)20-13)21-9-10-23-17(12-21)18(24)22(4-2)19(23)25/h5-8,11,17H,3-4,9-10,12H2,1-2H3
InChIKeyOUSKHGCRDBYGAB-UHFFFAOYSA-N
XLogP2.27
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 154742252) is 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is CCc1cc(N2CCN3C(=O)N(CC)C(=O)C3C2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is OUSKHGCRDBYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-13-11-16(14-7-5-6-8-15(14)20-13)21-9-10-23-17(12-21)18(24)22(4-2)19(23)25/h5-8,11,17H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 338.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(2-ethylquinolin-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 154742252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).