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

C20H20N4O — CID 134130865

IUPAC5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one
SMILESCN(C)CCCn1c(=O)c2nc3ccccc3nc2c2ccccc21
InChIInChI=1S/C20H20N4O/c1-23(2)12-7-13-24-17-11-6-3-8-14(17)18-19(20(24)25)22-16-10-5-4-9-15(16)21-18/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyHCCVVQMBUIMTFR-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.05
Rot. Bonds4

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

5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one (PubChem CID 134130865) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one
PubChem CID134130865
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one
SMILESCN(C)CCCn1c(=O)c2nc3ccccc3nc2c2ccccc21
InChIInChI=1S/C20H20N4O/c1-23(2)12-7-13-24-17-11-6-3-8-14(17)18-19(20(24)25)22-16-10-5-4-9-15(16)21-18/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyHCCVVQMBUIMTFR-UHFFFAOYSA-N
XLogP3.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.05
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-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one (CID 134130865) is 5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one is CN(C)CCCn1c(=O)c2nc3ccccc3nc2c2ccccc21.
What is the InChIKey of 5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one?
The InChIKey is HCCVVQMBUIMTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-23(2)12-7-13-24-17-11-6-3-8-14(17)18-19(20(24)25)22-16-10-5-4-9-15(16)21-18/h3-6,8-11H,7,12-13H2,1-2H3.
What are the key properties of 5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one?
5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one has a molecular weight of 332.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]quinolino[4,3-b]quinoxalin-6-one is sourced from PubChem (CID 134130865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).