ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate

C22H23N5O2 — CID 21007818

IUPACethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate
SMILESCCOC(=O)C(C#N)c1nc2ccccc2nc1N(CC)CCc1ccncc1
InChIInChI=1S/C22H23N5O2/c1-3-27(14-11-16-9-12-24-13-10-16)21-20(17(15-23)22(28)29-4-2)25-18-7-5-6-8-19(18)26-21/h5-10,12-13,17H,3-4,11,14H2,1-2H3
InChIKeyUCBPCRRFMVUBIL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.26
Rot. Bonds8

About ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate

ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate (PubChem CID 21007818) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate
PubChem CID21007818
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Nameethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate
SMILESCCOC(=O)C(C#N)c1nc2ccccc2nc1N(CC)CCc1ccncc1
InChIInChI=1S/C22H23N5O2/c1-3-27(14-11-16-9-12-24-13-10-16)21-20(17(15-23)22(28)29-4-2)25-18-7-5-6-8-19(18)26-21/h5-10,12-13,17H,3-4,11,14H2,1-2H3
InChIKeyUCBPCRRFMVUBIL-UHFFFAOYSA-N
XLogP3.26
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate?
The IUPAC name of ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate (CID 21007818) is ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate.
What is the SMILES notation for ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate?
The canonical SMILES for ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate is CCOC(=O)C(C#N)c1nc2ccccc2nc1N(CC)CCc1ccncc1.
What is the InChIKey of ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate?
The InChIKey is UCBPCRRFMVUBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-3-27(14-11-16-9-12-24-13-10-16)21-20(17(15-23)22(28)29-4-2)25-18-7-5-6-8-19(18)26-21/h5-10,12-13,17H,3-4,11,14H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate?
ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate has a molecular weight of 389.46 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate is sourced from PubChem (CID 21007818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).