2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide

C20H23N5O2 — CID 4123187

IUPAC2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
SMILESCC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CC2)CC(C)O1
InChIInChI=1S/C20H23N5O2/c1-12-10-25(11-13(2)27-12)19-18(15(9-21)20(26)22-14-7-8-14)23-16-5-3-4-6-17(16)24-19/h3-6,12-15H,7-8,10-11H2,1-2H3,(H,22,26)
InChIKeyFLEQTDQLCKIVDS-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.13
Rot. Bonds4

About 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide

2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide (PubChem CID 4123187) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
PubChem CID4123187
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
SMILESCC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CC2)CC(C)O1
InChIInChI=1S/C20H23N5O2/c1-12-10-25(11-13(2)27-12)19-18(15(9-21)20(26)22-14-7-8-14)23-16-5-3-4-6-17(16)24-19/h3-6,12-15H,7-8,10-11H2,1-2H3,(H,22,26)
InChIKeyFLEQTDQLCKIVDS-UHFFFAOYSA-N
XLogP2.13
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide?
The IUPAC name of 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide (CID 4123187) is 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide is CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CC2)CC(C)O1.
What is the InChIKey of 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide?
The InChIKey is FLEQTDQLCKIVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-10-25(11-13(2)27-12)19-18(15(9-21)20(26)22-14-7-8-14)23-16-5-3-4-6-17(16)24-19/h3-6,12-15H,7-8,10-11H2,1-2H3,(H,22,26).
What are the key properties of 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide?
2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide is sourced from PubChem (CID 4123187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).