8-chloro-6H-pyrazino[2,3-c]quinolin-5-one

C11H6ClN3O — CID 121219727

IUPAC8-chloro-6H-pyrazino[2,3-c]quinolin-5-one
SMILESO=c1[nH]c2cc(Cl)ccc2c2nccnc12
InChIInChI=1S/C11H6ClN3O/c12-6-1-2-7-8(5-6)15-11(16)10-9(7)13-3-4-14-10/h1-5H,(H,15,16)
InChIKeyZJGLRARPLLOZDV-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.12
Rot. Bonds

About 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one

8-chloro-6H-pyrazino[2,3-c]quinolin-5-one (PubChem CID 121219727) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one.

Molecular Properties

Compound Name8-chloro-6H-pyrazino[2,3-c]quinolin-5-one
PubChem CID121219727
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name8-chloro-6H-pyrazino[2,3-c]quinolin-5-one
SMILESO=c1[nH]c2cc(Cl)ccc2c2nccnc12
InChIInChI=1S/C11H6ClN3O/c12-6-1-2-7-8(5-6)15-11(16)10-9(7)13-3-4-14-10/h1-5H,(H,15,16)
InChIKeyZJGLRARPLLOZDV-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one?
The IUPAC name of 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one (CID 121219727) is 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one.
What is the SMILES notation for 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one?
The canonical SMILES for 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one is O=c1[nH]c2cc(Cl)ccc2c2nccnc12.
What is the InChIKey of 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one?
The InChIKey is ZJGLRARPLLOZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-6-1-2-7-8(5-6)15-11(16)10-9(7)13-3-4-14-10/h1-5H,(H,15,16).
What are the key properties of 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one?
8-chloro-6H-pyrazino[2,3-c]quinolin-5-one has a molecular weight of 231.64 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6H-pyrazino[2,3-c]quinolin-5-one is sourced from PubChem (CID 121219727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).