methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate

C15H16N2O3 — CID 110464188

IUPACmethyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H16N2O3/c1-17(10-15(19)20-2)14(18)9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8H,9-10H2,1-2H3
InChIKeyULFRDQLUDJUQBV-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate

methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate (PubChem CID 110464188) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate
PubChem CID110464188
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H16N2O3/c1-17(10-15(19)20-2)14(18)9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8H,9-10H2,1-2H3
InChIKeyULFRDQLUDJUQBV-UHFFFAOYSA-N
XLogP1.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-quinolin-2-ylacetic acid;hydrate
CID 141421012
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
CID 62005546
1,2-di(quinolin-2-yl)ethanone
CID 24973307
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
1-quinolin-2-ylpentan-2-one
CID 28935199
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
4-ethyl-1-quinolin-2-ylhex-3-en-2-one
CID 103458860
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
CID 43409761
methyl 3-(quinolin-2-ylmethylsulfinyl)butanoate
CID 66115990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate (CID 110464188) is methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate is COC(=O)CN(C)C(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate?
The InChIKey is ULFRDQLUDJUQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(10-15(19)20-2)14(18)9-12-8-7-11-5-3-4-6-13(11)16-12/h3-8H,9-10H2,1-2H3.
What are the key properties of methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate?
methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate has a molecular weight of 272.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate is sourced from PubChem (CID 110464188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).