N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide

C21H21FN4O3 — CID 15990184

IUPACN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C21H21FN4O3/c1-24-17-11-15(23-19(27)13-7-3-4-8-14(13)22)16(26-9-5-6-10-26)12-18(17)25(2)21(29)20(24)28/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,23,27)
InChIKeyCVLUWUHNGULKJR-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.23
Rot. Bonds3

About N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide

N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide (PubChem CID 15990184) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide
PubChem CID15990184
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C21H21FN4O3/c1-24-17-11-15(23-19(27)13-7-3-4-8-14(13)22)16(26-9-5-6-10-26)12-18(17)25(2)21(29)20(24)28/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,23,27)
InChIKeyCVLUWUHNGULKJR-UHFFFAOYSA-N
XLogP2.23
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide 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 N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide (CID 15990184) is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)c3ccccc3F)cc21.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide?
The InChIKey is CVLUWUHNGULKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-24-17-11-15(23-19(27)13-7-3-4-8-14(13)22)16(26-9-5-6-10-26)12-18(17)25(2)21(29)20(24)28/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,23,27).
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide?
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide has a molecular weight of 396.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-fluorobenzamide is sourced from PubChem (CID 15990184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).