ethyl 4-(quinoxalin-2-ylmethylamino)butanoate

C15H19N3O2 — CID 64578319

IUPACethyl 4-(quinoxalin-2-ylmethylamino)butanoate
SMILESCCOC(=O)CCCNCc1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-2-20-15(19)8-5-9-16-10-12-11-17-13-6-3-4-7-14(13)18-12/h3-4,6-7,11,16H,2,5,8-10H2,1H3
InChIKeyUIHYQZCGDMREGM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.06
Rot. Bonds7

About ethyl 4-(quinoxalin-2-ylmethylamino)butanoate

ethyl 4-(quinoxalin-2-ylmethylamino)butanoate (PubChem CID 64578319) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 4-(quinoxalin-2-ylmethylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(quinoxalin-2-ylmethylamino)butanoate
PubChem CID64578319
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 4-(quinoxalin-2-ylmethylamino)butanoate
SMILESCCOC(=O)CCCNCc1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-2-20-15(19)8-5-9-16-10-12-11-17-13-6-3-4-7-14(13)18-12/h3-4,6-7,11,16H,2,5,8-10H2,1H3
InChIKeyUIHYQZCGDMREGM-UHFFFAOYSA-N
XLogP2.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(quinoxalin-2-ylmethyl)carbamate
CID 110869614
3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 43769565
2-ethoxy-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43778393
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
CID 82893296
ethyl 4-[(4-methylphenyl)methylamino]butanoate
CID 60687567
ethyl 4-[(2,6-difluorophenyl)methylamino]butanoate
CID 64579101
ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
CID 64580281
ethyl 4-(isoquinolin-5-ylmethylamino)butanoate
CID 64580463
ethyl 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 64578922

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(quinoxalin-2-ylmethylamino)butanoate?
The IUPAC name of ethyl 4-(quinoxalin-2-ylmethylamino)butanoate (CID 64578319) is ethyl 4-(quinoxalin-2-ylmethylamino)butanoate.
What is the SMILES notation for ethyl 4-(quinoxalin-2-ylmethylamino)butanoate?
The canonical SMILES for ethyl 4-(quinoxalin-2-ylmethylamino)butanoate is CCOC(=O)CCCNCc1cnc2ccccc2n1.
What is the InChIKey of ethyl 4-(quinoxalin-2-ylmethylamino)butanoate?
The InChIKey is UIHYQZCGDMREGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-15(19)8-5-9-16-10-12-11-17-13-6-3-4-7-14(13)18-12/h3-4,6-7,11,16H,2,5,8-10H2,1H3.
What are the key properties of ethyl 4-(quinoxalin-2-ylmethylamino)butanoate?
ethyl 4-(quinoxalin-2-ylmethylamino)butanoate has a molecular weight of 273.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(quinoxalin-2-ylmethylamino)butanoate is sourced from PubChem (CID 64578319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).