N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide

C15H16N4O2 — CID 104578268

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H16N4O2/c1-21-11-10-19(9-3-6-16)15(20)12-4-2-5-13-14(12)18-8-7-17-13/h2,4-5,7-8H,3,9-11H2,1H3
InChIKeySPIPRWRKZZXMKB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.63
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide (PubChem CID 104578268) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide
PubChem CID104578268
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H16N4O2/c1-21-11-10-19(9-3-6-16)15(20)12-4-2-5-13-14(12)18-8-7-17-13/h2,4-5,7-8H,3,9-11H2,1H3
InChIKeySPIPRWRKZZXMKB-UHFFFAOYSA-N
XLogP1.63
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide
CID 104578300
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105386249
N-(2-cyanoethyl)-2-hydroxy-N-(2-methoxyethyl)-3-nitrobenzamide
CID 103800309
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
CID 104577691
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63286998
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-sulfanylbenzamide
CID 107029635
5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 63237207

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide (CID 104578268) is N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide is COCCN(CCC#N)C(=O)c1cccc2nccnc12.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide?
The InChIKey is SPIPRWRKZZXMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-21-11-10-19(9-3-6-16)15(20)12-4-2-5-13-14(12)18-8-7-17-13/h2,4-5,7-8H,3,9-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104578268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).