3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one

C20H23N3O — CID 3088395

IUPAC3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one
SMILESCN(C)CCCn1c(=O)c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-22(2)13-8-14-23-19-12-7-6-11-17(19)21-18(20(23)24)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKeyYBKLKPCEEQYCSQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.94
Rot. Bonds6

About 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one

3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one (PubChem CID 3088395) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one
PubChem CID3088395
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one
SMILESCN(C)CCCn1c(=O)c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-22(2)13-8-14-23-19-12-7-6-11-17(19)21-18(20(23)24)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKeyYBKLKPCEEQYCSQ-UHFFFAOYSA-N
XLogP2.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-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 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one?
The IUPAC name of 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one (CID 3088395) is 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one.
What is the SMILES notation for 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one?
The canonical SMILES for 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one is CN(C)CCCn1c(=O)c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one?
The InChIKey is YBKLKPCEEQYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22(2)13-8-14-23-19-12-7-6-11-17(19)21-18(20(23)24)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3.
What are the key properties of 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one?
3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one has a molecular weight of 321.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one is sourced from PubChem (CID 3088395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).