2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C16H15N3O2 — CID 79922941

IUPAC2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCN2C(=O)CN1c1ccc2ncccc2c1
InChIInChI=1S/C16H15N3O2/c20-15-10-19(16(21)14-4-2-8-18(14)15)12-5-6-13-11(9-12)3-1-7-17-13/h1,3,5-7,9,14H,2,4,8,10H2
InChIKeyFXDJYXNEZXNOKW-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.57
Rot. Bonds1

About 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79922941) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID79922941
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCN2C(=O)CN1c1ccc2ncccc2c1
InChIInChI=1S/C16H15N3O2/c20-15-10-19(16(21)14-4-2-8-18(14)15)12-5-6-13-11(9-12)3-1-7-17-13/h1,3,5-7,9,14H,2,4,8,10H2
InChIKeyFXDJYXNEZXNOKW-UHFFFAOYSA-N
XLogP1.57
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79922941) is 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C1C2CCCN2C(=O)CN1c1ccc2ncccc2c1.
What is the InChIKey of 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is FXDJYXNEZXNOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-10-19(16(21)14-4-2-8-18(14)15)12-5-6-13-11(9-12)3-1-7-17-13/h1,3,5-7,9,14H,2,4,8,10H2.
What are the key properties of 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 281.31 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-6-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79922941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).