2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one

C17H10ClN3O — CID 146647879

IUPAC2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one
SMILESO=c1c2ccccc2c2nc(Cl)cnc2n1-c1ccccc1
InChIInChI=1S/C17H10ClN3O/c18-14-10-19-16-15(20-14)12-8-4-5-9-13(12)17(22)21(16)11-6-2-1-3-7-11/h1-10H
InChIKeyFGOPREANPXUIIN-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.59
Rot. Bonds1

About 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one

2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one (PubChem CID 146647879) has the molecular formula C17H10ClN3O and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one.

Molecular Properties

Compound Name2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one
PubChem CID146647879
Molecular FormulaC17H10ClN3O
Molecular Weight307.74 g/mol
Exact Mass307.05
IUPAC Name2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one
SMILESO=c1c2ccccc2c2nc(Cl)cnc2n1-c1ccccc1
InChIInChI=1S/C17H10ClN3O/c18-14-10-19-16-15(20-14)12-8-4-5-9-13(12)17(22)21(16)11-6-2-1-3-7-11/h1-10H
InChIKeyFGOPREANPXUIIN-UHFFFAOYSA-N
XLogP3.59
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one?
The IUPAC name of 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one (CID 146647879) is 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one.
What is the SMILES notation for 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one?
The canonical SMILES for 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one is O=c1c2ccccc2c2nc(Cl)cnc2n1-c1ccccc1.
What is the InChIKey of 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one?
The InChIKey is FGOPREANPXUIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O/c18-14-10-19-16-15(20-14)12-8-4-5-9-13(12)17(22)21(16)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one?
2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one has a molecular weight of 307.74 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenylpyrazino[2,3-c]isoquinolin-6-one is sourced from PubChem (CID 146647879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).