methyl 2-(2-methylquinolin-8-yl)propanoate

C14H15NO2 — CID 70983048

IUPACmethyl 2-(2-methylquinolin-8-yl)propanoate
SMILESCOC(=O)C(C)c1cccc2ccc(C)nc12
InChIInChI=1S/C14H15NO2/c1-9-7-8-11-5-4-6-12(13(11)15-9)10(2)14(16)17-3/h4-8,10H,1-3H3
InChIKeyPJWZWKAAVJPNKX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.82
Rot. Bonds2

About methyl 2-(2-methylquinolin-8-yl)propanoate

methyl 2-(2-methylquinolin-8-yl)propanoate (PubChem CID 70983048) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(2-methylquinolin-8-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methylquinolin-8-yl)propanoate
PubChem CID70983048
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-(2-methylquinolin-8-yl)propanoate
SMILESCOC(=O)C(C)c1cccc2ccc(C)nc12
InChIInChI=1S/C14H15NO2/c1-9-7-8-11-5-4-6-12(13(11)15-9)10(2)14(16)17-3/h4-8,10H,1-3H3
InChIKeyPJWZWKAAVJPNKX-UHFFFAOYSA-N
XLogP2.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418
CID 66916636
CID 66916636
CID 172780914
CID 172780914
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
2-[(2-methylquinolin-8-yl)amino]propanoic acid
CID 66173350
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
CID 17274622
CID 6371660
CID 6371660
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylquinolin-8-yl)propanoate?
The IUPAC name of methyl 2-(2-methylquinolin-8-yl)propanoate (CID 70983048) is methyl 2-(2-methylquinolin-8-yl)propanoate.
What is the SMILES notation for methyl 2-(2-methylquinolin-8-yl)propanoate?
The canonical SMILES for methyl 2-(2-methylquinolin-8-yl)propanoate is COC(=O)C(C)c1cccc2ccc(C)nc12.
What is the InChIKey of methyl 2-(2-methylquinolin-8-yl)propanoate?
The InChIKey is PJWZWKAAVJPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-7-8-11-5-4-6-12(13(11)15-9)10(2)14(16)17-3/h4-8,10H,1-3H3.
What are the key properties of methyl 2-(2-methylquinolin-8-yl)propanoate?
methyl 2-(2-methylquinolin-8-yl)propanoate has a molecular weight of 229.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylquinolin-8-yl)propanoate is sourced from PubChem (CID 70983048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).