ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate

C16H20N2O2 — CID 79235448

IUPACethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-20-16(19)8-9-17-11-13-10-12(2)18-15-7-5-4-6-14(13)15/h4-7,10,17H,3,8-9,11H2,1-2H3
InChIKeyGZXGCUABXJALBN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.59
Rot. Bonds6

About ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate

ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate (PubChem CID 79235448) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
PubChem CID79235448
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-20-16(19)8-9-17-11-13-10-12(2)18-15-7-5-4-6-14(13)15/h4-7,10,17H,3,8-9,11H2,1-2H3
InChIKeyGZXGCUABXJALBN-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
ethyl 3-[(2-fluorophenyl)methylamino]propanoate;hydrochloride
CID 126479427
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
ethyl 3-[(2,5-dimethylphenyl)methylamino]propanoate
CID 23052926
ethyl 3-[(1-ethylindol-3-yl)methylamino]propanoate
CID 65067184
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
CID 63885421
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate?
The IUPAC name of ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate (CID 79235448) is ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate is CCOC(=O)CCNCc1cc(C)nc2ccccc12.
What is the InChIKey of ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate?
The InChIKey is GZXGCUABXJALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-20-16(19)8-9-17-11-13-10-12(2)18-15-7-5-4-6-14(13)15/h4-7,10,17H,3,8-9,11H2,1-2H3.
What are the key properties of ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate?
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate has a molecular weight of 272.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate is sourced from PubChem (CID 79235448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).