prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate

C20H22N4O3 — CID 7408947

IUPACprop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
SMILESC=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C20H22N4O3/c1-4-9-26-20(25)15(10-21)18-19(24-11-13(2)27-14(3)12-24)23-17-8-6-5-7-16(17)22-18/h4-8,13-15H,1,9,11-12H2,2-3H3/t13-,14+,15-/m1/s1
InChIKeyDZRMNMRRCDRJOQ-QLFBSQMISA-N
MW366.42 g/mol
LogP2.58
Rot. Bonds5

About prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate

prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate (PubChem CID 7408947) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
PubChem CID7408947
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Nameprop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
SMILESC=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C20H22N4O3/c1-4-9-26-20(25)15(10-21)18-19(24-11-13(2)27-14(3)12-24)23-17-8-6-5-7-16(17)22-18/h4-8,13-15H,1,9,11-12H2,2-3H3/t13-,14+,15-/m1/s1
InChIKeyDZRMNMRRCDRJOQ-QLFBSQMISA-N
XLogP2.58
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate 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 prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate?
The IUPAC name of prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate (CID 7408947) is prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate.
What is the SMILES notation for prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate?
The canonical SMILES for prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate is C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate?
The InChIKey is DZRMNMRRCDRJOQ-QLFBSQMISA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-9-26-20(25)15(10-21)18-19(24-11-13(2)27-14(3)12-24)23-17-8-6-5-7-16(17)22-18/h4-8,13-15H,1,9,11-12H2,2-3H3/t13-,14+,15-/m1/s1.
What are the key properties of prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate?
prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate has a molecular weight of 366.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate is sourced from PubChem (CID 7408947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).