cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate

C23H28N4O2 — CID 663318

IUPACcyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
SMILESCC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C23H28N4O2/c1-16-11-13-27(14-12-16)22-21(25-19-9-5-6-10-20(19)26-22)18(15-24)23(28)29-17-7-3-2-4-8-17/h5-6,9-10,16-18H,2-4,7-8,11-14H2,1H3
InChIKeyQZNLMHPQHOSZFJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.35
Rot. Bonds4

About cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate

cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate (PubChem CID 663318) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
PubChem CID663318
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Namecyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
SMILESCC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C23H28N4O2/c1-16-11-13-27(14-12-16)22-21(25-19-9-5-6-10-20(19)26-22)18(15-24)23(28)29-17-7-3-2-4-8-17/h5-6,9-10,16-18H,2-4,7-8,11-14H2,1H3
InChIKeyQZNLMHPQHOSZFJ-UHFFFAOYSA-N
XLogP4.35
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate?
The IUPAC name of cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate (CID 663318) is cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate.
What is the SMILES notation for cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate?
The canonical SMILES for cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate is CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1.
What is the InChIKey of cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate?
The InChIKey is QZNLMHPQHOSZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-11-13-27(14-12-16)22-21(25-19-9-5-6-10-20(19)26-22)18(15-24)23(28)29-17-7-3-2-4-8-17/h5-6,9-10,16-18H,2-4,7-8,11-14H2,1H3.
What are the key properties of cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate?
cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate has a molecular weight of 392.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate is sourced from PubChem (CID 663318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).