methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate

C17H21N3O4 — CID 31838969

IUPACmethyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C17H21N3O4/c1-24-17(23)9-3-2-6-10-18-15(21)12-20-14-8-5-4-7-13(14)19-11-16(20)22/h4-5,7-8,11H,2-3,6,9-10,12H2,1H3,(H,18,21)
InChIKeyYJFUNNPVLQQULC-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.25
Rot. Bonds8

About methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate

methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate (PubChem CID 31838969) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate
PubChem CID31838969
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namemethyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C17H21N3O4/c1-24-17(23)9-3-2-6-10-18-15(21)12-20-14-8-5-4-7-13(14)19-11-16(20)22/h4-5,7-8,11H,2-3,6,9-10,12H2,1H3,(H,18,21)
InChIKeyYJFUNNPVLQQULC-UHFFFAOYSA-N
XLogP1.25
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-[3-(N-ethylanilino)propyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 31591027
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111115882
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111119852
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 78810816
methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
CID 78812383
N,N-dimethyl-4-[[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]methyl]benzamide
CID 134039211

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate (CID 31838969) is methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate is COC(=O)CCCCCNC(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate?
The InChIKey is YJFUNNPVLQQULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-24-17(23)9-3-2-6-10-18-15(21)12-20-14-8-5-4-7-13(14)19-11-16(20)22/h4-5,7-8,11H,2-3,6,9-10,12H2,1H3,(H,18,21).
What are the key properties of methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate?
methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate has a molecular weight of 331.37 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate is sourced from PubChem (CID 31838969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).