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

C19H18N4O — CID 134131300

IUPAC5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one
SMILESCN(C)CCn1c(=O)c2nc3ccccc3nc2c2ccccc21
InChIInChI=1S/C19H18N4O/c1-22(2)11-12-23-16-10-6-3-7-13(16)17-18(19(23)24)21-15-9-5-4-8-14(15)20-17/h3-10H,11-12H2,1-2H3
InChIKeyKWANYRIFRMPJNS-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.66
Rot. Bonds3

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

5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one (PubChem CID 134131300) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one
PubChem CID134131300
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one
SMILESCN(C)CCn1c(=O)c2nc3ccccc3nc2c2ccccc21
InChIInChI=1S/C19H18N4O/c1-22(2)11-12-23-16-10-6-3-7-13(16)17-18(19(23)24)21-15-9-5-4-8-14(15)20-17/h3-10H,11-12H2,1-2H3
InChIKeyKWANYRIFRMPJNS-UHFFFAOYSA-N
XLogP2.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.66
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'}

Analyze 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one (CID 134131300) is 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one is CN(C)CCn1c(=O)c2nc3ccccc3nc2c2ccccc21.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one?
The InChIKey is KWANYRIFRMPJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-22(2)11-12-23-16-10-6-3-7-13(16)17-18(19(23)24)21-15-9-5-4-8-14(15)20-17/h3-10H,11-12H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one?
5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one has a molecular weight of 318.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]quinolino[4,3-b]quinoxalin-6-one is sourced from PubChem (CID 134131300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).