1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione

C19H21N5O3 — CID 18089869

IUPAC1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCN1CCCN(C(=O)CCN2C(=O)CCC2=O)c2nc3ccccc3nc21
InChIInChI=1S/C19H21N5O3/c1-22-10-4-11-24(17(27)9-12-23-15(25)7-8-16(23)26)19-18(22)20-13-5-2-3-6-14(13)21-19/h2-3,5-6H,4,7-12H2,1H3
InChIKeyGRDGQAADQKGRDT-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.34
Rot. Bonds3

About 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione

1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 18089869) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID18089869
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCN1CCCN(C(=O)CCN2C(=O)CCC2=O)c2nc3ccccc3nc21
InChIInChI=1S/C19H21N5O3/c1-22-10-4-11-24(17(27)9-12-23-15(25)7-8-16(23)26)19-18(22)20-13-5-2-3-6-14(13)21-19/h2-3,5-6H,4,7-12H2,1H3
InChIKeyGRDGQAADQKGRDT-UHFFFAOYSA-N
XLogP1.34
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione 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 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione (CID 18089869) is 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione is CN1CCCN(C(=O)CCN2C(=O)CCC2=O)c2nc3ccccc3nc21.
What is the InChIKey of 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is GRDGQAADQKGRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-22-10-4-11-24(17(27)9-12-23-15(25)7-8-16(23)26)19-18(22)20-13-5-2-3-6-14(13)21-19/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 367.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 18089869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).