3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one

C20H19N3O2 — CID 131853309

IUPAC3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one
SMILESCCCCN1Cc2c(cccc2-c2nc3ccccc3[nH]c2=O)C1=O
InChIInChI=1S/C20H19N3O2/c1-2-3-11-23-12-15-13(7-6-8-14(15)20(23)25)18-19(24)22-17-10-5-4-9-16(17)21-18/h4-10H,2-3,11-12H2,1H3,(H,22,24)
InChIKeyBGGRNJVLVLWJFJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.35
Rot. Bonds4

About 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one

3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one (PubChem CID 131853309) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one
PubChem CID131853309
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one
SMILESCCCCN1Cc2c(cccc2-c2nc3ccccc3[nH]c2=O)C1=O
InChIInChI=1S/C20H19N3O2/c1-2-3-11-23-12-15-13(7-6-8-14(15)20(23)25)18-19(24)22-17-10-5-4-9-16(17)21-18/h4-10H,2-3,11-12H2,1H3,(H,22,24)
InChIKeyBGGRNJVLVLWJFJ-UHFFFAOYSA-N
XLogP3.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-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

Related Compounds

3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
CID 134842555
2-nonyl-3H-isoindol-1-one
CID 132543397
3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
CID 137079359
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 46991384
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-butyl-3-oxo-1H-isoindole-4-carboxamide
CID 71677752
N-[2-methyl-6-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 27187078
ethyl 2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetate
CID 832829
1-(3-bromophenyl)propane-1,2-dione;3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 162135553
2-[(3-butylimidazol-1-ium-1-yl)methyl]-1H-benzimidazole
CID 10332553
2-butyl-4-chloro-5-methoxy-3H-isoindol-1-one
CID 76846956
2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide
CID 3481617
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
CID 3163417

Frequently Asked Questions

What is the IUPAC name of 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one (CID 131853309) is 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one is CCCCN1Cc2c(cccc2-c2nc3ccccc3[nH]c2=O)C1=O.
What is the InChIKey of 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one?
The InChIKey is BGGRNJVLVLWJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-3-11-23-12-15-13(7-6-8-14(15)20(23)25)18-19(24)22-17-10-5-4-9-16(17)21-18/h4-10H,2-3,11-12H2,1H3,(H,22,24).
What are the key properties of 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one?
3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butyl-1-oxo-3H-isoindol-4-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 131853309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).