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

C23H29N5O2 — CID 659656

IUPAC2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
SMILESCC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC(C)O1
InChIInChI=1S/C23H29N5O2/c1-15-13-28(14-16(2)30-15)22-21(26-19-10-6-7-11-20(19)27-22)18(12-24)23(29)25-17-8-4-3-5-9-17/h6-7,10-11,15-18H,3-5,8-9,13-14H2,1-2H3,(H,25,29)
InChIKeyJIQBEHFLFGHHDO-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.30
Rot. Bonds4

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

2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide (PubChem CID 659656) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
PubChem CID659656
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
SMILESCC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC(C)O1
InChIInChI=1S/C23H29N5O2/c1-15-13-28(14-16(2)30-15)22-21(26-19-10-6-7-11-20(19)27-22)18(12-24)23(29)25-17-8-4-3-5-9-17/h6-7,10-11,15-18H,3-5,8-9,13-14H2,1-2H3,(H,25,29)
InChIKeyJIQBEHFLFGHHDO-UHFFFAOYSA-N
XLogP3.30
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide?
The IUPAC name of 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide (CID 659656) is 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide is CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC(C)O1.
What is the InChIKey of 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide?
The InChIKey is JIQBEHFLFGHHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-13-28(14-16(2)30-15)22-21(26-19-10-6-7-11-20(19)27-22)18(12-24)23(29)25-17-8-4-3-5-9-17/h6-7,10-11,15-18H,3-5,8-9,13-14H2,1-2H3,(H,25,29).
What are the key properties of 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide?
2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide is sourced from PubChem (CID 659656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).