methyl 3-(quinolin-3-ylmethylamino)propanoate

C14H16N2O2 — CID 114203484

IUPACmethyl 3-(quinolin-3-ylmethylamino)propanoate
SMILESCOC(=O)CCNCc1cnc2ccccc2c1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)6-7-15-9-11-8-12-4-2-3-5-13(12)16-10-11/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyMYNDVFGBZZNRFR-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.89
Rot. Bonds5

About methyl 3-(quinolin-3-ylmethylamino)propanoate

methyl 3-(quinolin-3-ylmethylamino)propanoate (PubChem CID 114203484) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-(quinolin-3-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(quinolin-3-ylmethylamino)propanoate
PubChem CID114203484
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 3-(quinolin-3-ylmethylamino)propanoate
SMILESCOC(=O)CCNCc1cnc2ccccc2c1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)6-7-15-9-11-8-12-4-2-3-5-13(12)16-10-11/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyMYNDVFGBZZNRFR-UHFFFAOYSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate
CID 103437611
methyl 3-(pyrimidin-5-ylmethylamino)propanoate
CID 62758953
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
quinolin-3-ylmethyl acetate
CID 101032812
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
methyl 3-[(2-hydroxyphenyl)methylamino]propanoate
CID 43139758
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809

Frequently Asked Questions

What is the IUPAC name of methyl 3-(quinolin-3-ylmethylamino)propanoate?
The IUPAC name of methyl 3-(quinolin-3-ylmethylamino)propanoate (CID 114203484) is methyl 3-(quinolin-3-ylmethylamino)propanoate.
What is the SMILES notation for methyl 3-(quinolin-3-ylmethylamino)propanoate?
The canonical SMILES for methyl 3-(quinolin-3-ylmethylamino)propanoate is COC(=O)CCNCc1cnc2ccccc2c1.
What is the InChIKey of methyl 3-(quinolin-3-ylmethylamino)propanoate?
The InChIKey is MYNDVFGBZZNRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)6-7-15-9-11-8-12-4-2-3-5-13(12)16-10-11/h2-5,8,10,15H,6-7,9H2,1H3.
What are the key properties of methyl 3-(quinolin-3-ylmethylamino)propanoate?
methyl 3-(quinolin-3-ylmethylamino)propanoate has a molecular weight of 244.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(quinolin-3-ylmethylamino)propanoate is sourced from PubChem (CID 114203484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).