methyl 3-(8-methylquinolin-6-yl)propanoate

C14H15NO2 — CID 82578281

IUPACmethyl 3-(8-methylquinolin-6-yl)propanoate
SMILESCOC(=O)CCc1cc(C)c2ncccc2c1
InChIInChI=1S/C14H15NO2/c1-10-8-11(5-6-13(16)17-2)9-12-4-3-7-15-14(10)12/h3-4,7-9H,5-6H2,1-2H3
InChIKeyOXJRXTWEYMQDEX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.65
Rot. Bonds3

About methyl 3-(8-methylquinolin-6-yl)propanoate

methyl 3-(8-methylquinolin-6-yl)propanoate (PubChem CID 82578281) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-(8-methylquinolin-6-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-methylquinolin-6-yl)propanoate
PubChem CID82578281
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 3-(8-methylquinolin-6-yl)propanoate
SMILESCOC(=O)CCc1cc(C)c2ncccc2c1
InChIInChI=1S/C14H15NO2/c1-10-8-11(5-6-13(16)17-2)9-12-4-3-7-15-14(10)12/h3-4,7-9H,5-6H2,1-2H3
InChIKeyOXJRXTWEYMQDEX-UHFFFAOYSA-N
XLogP2.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-quinolin-6-ylbutanoate
CID 116997352
8-methyl-6-(2-methylpropyl)quinoline
CID 146222256
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate
CID 53465785
3-(3,5-dimethoxyphenyl)-N-(8-methylquinolin-5-yl)propanamide
CID 38267727
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
methyl 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoate
CID 68545365
methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate
CID 144659274
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465

Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-methylquinolin-6-yl)propanoate?
The IUPAC name of methyl 3-(8-methylquinolin-6-yl)propanoate (CID 82578281) is methyl 3-(8-methylquinolin-6-yl)propanoate.
What is the SMILES notation for methyl 3-(8-methylquinolin-6-yl)propanoate?
The canonical SMILES for methyl 3-(8-methylquinolin-6-yl)propanoate is COC(=O)CCc1cc(C)c2ncccc2c1.
What is the InChIKey of methyl 3-(8-methylquinolin-6-yl)propanoate?
The InChIKey is OXJRXTWEYMQDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-8-11(5-6-13(16)17-2)9-12-4-3-7-15-14(10)12/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of methyl 3-(8-methylquinolin-6-yl)propanoate?
methyl 3-(8-methylquinolin-6-yl)propanoate has a molecular weight of 229.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-methylquinolin-6-yl)propanoate is sourced from PubChem (CID 82578281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).