5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one

C21H22N4O — CID 134130052

IUPAC5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one
SMILESCCN(CC)CCn1c(=O)c2nc3ccccc3nc2c2ccccc21
InChIInChI=1S/C21H22N4O/c1-3-24(4-2)13-14-25-18-12-8-5-9-15(18)19-20(21(25)26)23-17-11-7-6-10-16(17)22-19/h5-12H,3-4,13-14H2,1-2H3
InChIKeyJBKVOLFDQSJIGK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.44
Rot. Bonds5

About 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one

5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one (PubChem CID 134130052) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one
PubChem CID134130052
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one
SMILESCCN(CC)CCn1c(=O)c2nc3ccccc3nc2c2ccccc21
InChIInChI=1S/C21H22N4O/c1-3-24(4-2)13-14-25-18-12-8-5-9-15(18)19-20(21(25)26)23-17-11-7-6-10-16(17)22-19/h5-12H,3-4,13-14H2,1-2H3
InChIKeyJBKVOLFDQSJIGK-UHFFFAOYSA-N
XLogP3.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one?
The IUPAC name of 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one (CID 134130052) is 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one.
What is the SMILES notation for 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one?
The canonical SMILES for 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one is CCN(CC)CCn1c(=O)c2nc3ccccc3nc2c2ccccc21.
What is the InChIKey of 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one?
The InChIKey is JBKVOLFDQSJIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-24(4-2)13-14-25-18-12-8-5-9-15(18)19-20(21(25)26)23-17-11-7-6-10-16(17)22-19/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one?
5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one has a molecular weight of 346.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one is sourced from PubChem (CID 134130052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).