ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate

C15H18N2O2 — CID 102436665

IUPACethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cc(C)c2ccccc2n1
InChIInChI=1S/C15H18N2O2/c1-4-19-15(18)11(3)16-14-9-10(2)12-7-5-6-8-13(12)17-14/h5-9,11H,4H2,1-3H3,(H,16,17)
InChIKeyKIUZBUKXQPXRAJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate

ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate (PubChem CID 102436665) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
PubChem CID102436665
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cc(C)c2ccccc2n1
InChIInChI=1S/C15H18N2O2/c1-4-19-15(18)11(3)16-14-9-10(2)12-7-5-6-8-13(12)17-14/h5-9,11H,4H2,1-3H3,(H,16,17)
InChIKeyKIUZBUKXQPXRAJ-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,1-benzothiazol-3-ylamino)propanoate
CID 66355714
ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 61499213
ethyl (2R)-2-(4-methylquinolin-2-yl)sulfanylbutanoate
CID 864913
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate
CID 171673323
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
ethyl 2-[(1-oxo-2H-isoquinolin-3-yl)amino]propanoate
CID 61498925
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
N-[1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 175073880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate (CID 102436665) is ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate is CCOC(=O)C(C)Nc1cc(C)c2ccccc2n1.
What is the InChIKey of ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate?
The InChIKey is KIUZBUKXQPXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-19-15(18)11(3)16-14-9-10(2)12-7-5-6-8-13(12)17-14/h5-9,11H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate?
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate has a molecular weight of 258.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate is sourced from PubChem (CID 102436665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).