7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile

C19H15FN4O2 — CID 5311567

IUPAC7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile
SMILESN#Cc1c(-c2ccccc2)n([O-])c2cc(N3CCCC3)c(F)cc2[n+]1=O
InChIInChI=1S/C19H15FN4O2/c20-14-10-16-17(11-15(14)22-8-4-5-9-22)24(26)19(18(12-21)23(16)25)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyWVNJMBQLIZRNRX-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.18
Rot. Bonds2

About 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile

7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile (PubChem CID 5311567) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile.

Molecular Properties

Compound Name7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile
PubChem CID5311567
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile
SMILESN#Cc1c(-c2ccccc2)n([O-])c2cc(N3CCCC3)c(F)cc2[n+]1=O
InChIInChI=1S/C19H15FN4O2/c20-14-10-16-17(11-15(14)22-8-4-5-9-22)24(26)19(18(12-21)23(16)25)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyWVNJMBQLIZRNRX-UHFFFAOYSA-N
XLogP3.18
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile 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 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile?
The IUPAC name of 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile (CID 5311567) is 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile.
What is the SMILES notation for 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile?
The canonical SMILES for 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile is N#Cc1c(-c2ccccc2)n([O-])c2cc(N3CCCC3)c(F)cc2[n+]1=O.
What is the InChIKey of 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile?
The InChIKey is WVNJMBQLIZRNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-14-10-16-17(11-15(14)22-8-4-5-9-22)24(26)19(18(12-21)23(16)25)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2.
What are the key properties of 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile?
7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile has a molecular weight of 350.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-oxido-1-oxo-3-phenyl-6-pyrrolidin-1-ylquinoxalin-1-ium-2-carbonitrile is sourced from PubChem (CID 5311567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).