methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate

C15H18N2O2 — CID 62010696

IUPACmethyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(C)Cc1cccc2cccnc12
InChIInChI=1S/C15H18N2O2/c1-17(10-8-14(18)19-2)11-13-6-3-5-12-7-4-9-16-15(12)13/h3-7,9H,8,10-11H2,1-2H3
InChIKeyWYKJAFVEYNFOQR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds5

About methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate

methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate (PubChem CID 62010696) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
PubChem CID62010696
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(C)Cc1cccc2cccnc12
InChIInChI=1S/C15H18N2O2/c1-17(10-8-14(18)19-2)11-13-6-3-5-12-7-4-9-16-15(12)13/h3-7,9H,8,10-11H2,1-2H3
InChIKeyWYKJAFVEYNFOQR-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 54899417
methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate
CID 60970098
1-methoxy-3-[methyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 62016123
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 55184038
3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide
CID 18131479
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 112809377
ethyl 2-quinolin-8-ylacetate
CID 52562898
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate (CID 62010696) is methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate is COC(=O)CCN(C)Cc1cccc2cccnc12.
What is the InChIKey of methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate?
The InChIKey is WYKJAFVEYNFOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(10-8-14(18)19-2)11-13-6-3-5-12-7-4-9-16-15(12)13/h3-7,9H,8,10-11H2,1-2H3.
What are the key properties of methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate?
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate has a molecular weight of 258.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate is sourced from PubChem (CID 62010696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).