methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate

C13H15N3O3 — CID 62027268

IUPACmethyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H15N3O3/c1-16(8-12(17)19-2)7-11-13(18)15-10-6-4-3-5-9(10)14-11/h3-6H,7-8H2,1-2H3,(H,15,18)
InChIKeyYKJVTJICPGNUCK-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.53
Rot. Bonds4

About methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate

methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate (PubChem CID 62027268) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate
PubChem CID62027268
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H15N3O3/c1-16(8-12(17)19-2)7-11-13(18)15-10-6-4-3-5-9(10)14-11/h3-6H,7-8H2,1-2H3,(H,15,18)
InChIKeyYKJVTJICPGNUCK-UHFFFAOYSA-N
XLogP0.53
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 55103508
3-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-1H-quinoxalin-2-one
CID 79653099
3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 86774445
3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313
2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
CID 63066089
3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
CID 62022162
(2S)-2-[(3-oxo-4H-quinoxalin-2-yl)methoxy]propanoic acid
CID 104876248
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 11709106
N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 15531658
3-[2-(dimethylamino)ethylsulfanylmethyl]-1H-quinoxalin-2-one
CID 134065176
[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl] acetate
CID 13004252

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate (CID 62027268) is methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate is COC(=O)CN(C)Cc1nc2ccccc2[nH]c1=O.
What is the InChIKey of methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate?
The InChIKey is YKJVTJICPGNUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16(8-12(17)19-2)7-11-13(18)15-10-6-4-3-5-9(10)14-11/h3-6H,7-8H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate?
methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate has a molecular weight of 261.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate is sourced from PubChem (CID 62027268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).