methyl 2-(quinolin-4-ylmethylamino)propanoate

C14H16N2O2 — CID 55251614

IUPACmethyl 2-(quinolin-4-ylmethylamino)propanoate
SMILESCOC(=O)C(C)NCc1ccnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-10(14(17)18-2)16-9-11-7-8-15-13-6-4-3-5-12(11)13/h3-8,10,16H,9H2,1-2H3
InChIKeyHBHLCUHWRWGSKV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.89
Rot. Bonds4

About methyl 2-(quinolin-4-ylmethylamino)propanoate

methyl 2-(quinolin-4-ylmethylamino)propanoate (PubChem CID 55251614) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-(quinolin-4-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(quinolin-4-ylmethylamino)propanoate
PubChem CID55251614
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-(quinolin-4-ylmethylamino)propanoate
SMILESCOC(=O)C(C)NCc1ccnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-10(14(17)18-2)16-9-11-7-8-15-13-6-4-3-5-12(11)13/h3-8,10,16H,9H2,1-2H3
InChIKeyHBHLCUHWRWGSKV-UHFFFAOYSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
methyl 2-(pyrimidin-2-ylmethylamino)propanoate
CID 62699544
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
CID 115619137
methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
CID 171618052
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
CID 63852270
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633

Frequently Asked Questions

What is the IUPAC name of methyl 2-(quinolin-4-ylmethylamino)propanoate?
The IUPAC name of methyl 2-(quinolin-4-ylmethylamino)propanoate (CID 55251614) is methyl 2-(quinolin-4-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-(quinolin-4-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-(quinolin-4-ylmethylamino)propanoate is COC(=O)C(C)NCc1ccnc2ccccc12.
What is the InChIKey of methyl 2-(quinolin-4-ylmethylamino)propanoate?
The InChIKey is HBHLCUHWRWGSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(14(17)18-2)16-9-11-7-8-15-13-6-4-3-5-12(11)13/h3-8,10,16H,9H2,1-2H3.
What are the key properties of methyl 2-(quinolin-4-ylmethylamino)propanoate?
methyl 2-(quinolin-4-ylmethylamino)propanoate has a molecular weight of 244.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(quinolin-4-ylmethylamino)propanoate is sourced from PubChem (CID 55251614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).