methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate

C15H18N2O2 — CID 62005546

IUPACmethyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
SMILESCOC(=O)CN(c1ccc2ccccc2n1)C(C)C
InChIInChI=1S/C15H18N2O2/c1-11(2)17(10-15(18)19-3)14-9-8-12-6-4-5-7-13(12)16-14/h4-9,11H,10H2,1-3H3
InChIKeyJVSQDDFIMAJTDN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate

methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate (PubChem CID 62005546) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
PubChem CID62005546
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
SMILESCOC(=O)CN(c1ccc2ccccc2n1)C(C)C
InChIInChI=1S/C15H18N2O2/c1-11(2)17(10-15(18)19-3)14-9-8-12-6-4-5-7-13(12)16-14/h4-9,11H,10H2,1-3H3
InChIKeyJVSQDDFIMAJTDN-UHFFFAOYSA-N
XLogP2.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
CID 62006483
3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide
CID 54996763
methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate
CID 110464188
methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate
CID 62004980
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867
methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
CID 66458598
ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
CID 114789698
2-[propan-2-yl(quinoxalin-2-yl)amino]acetic acid
CID 55064039
methyl 4-methyl-2-quinolin-2-ylpentanoate
CID 174662465
methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propan-2-ylamino]acetate
CID 66331702
methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-propan-2-ylamino]acetate
CID 62007051
methyl 3-(quinolin-2-ylmethylsulfinyl)butanoate
CID 66115990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate (CID 62005546) is methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate is COC(=O)CN(c1ccc2ccccc2n1)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate?
The InChIKey is JVSQDDFIMAJTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)17(10-15(18)19-3)14-9-8-12-6-4-5-7-13(12)16-14/h4-9,11H,10H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate?
methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate has a molecular weight of 258.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate is sourced from PubChem (CID 62005546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).