methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate

C20H19NO2 — CID 53465785

IUPACmethyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate
SMILESCOC(=O)CCc1cnc2ccc(-c3ccccc3C)cc2c1
InChIInChI=1S/C20H19NO2/c1-14-5-3-4-6-18(14)16-8-9-19-17(12-16)11-15(13-21-19)7-10-20(22)23-2/h3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeyZIECWRJCQPYFPG-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.32
Rot. Bonds4

About methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate

methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate (PubChem CID 53465785) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate
PubChem CID53465785
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate
SMILESCOC(=O)CCc1cnc2ccc(-c3ccccc3C)cc2c1
InChIInChI=1S/C20H19NO2/c1-14-5-3-4-6-18(14)16-8-9-19-17(12-16)11-15(13-21-19)7-10-20(22)23-2/h3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeyZIECWRJCQPYFPG-UHFFFAOYSA-N
XLogP4.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate?
The IUPAC name of methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate (CID 53465785) is methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate?
The canonical SMILES for methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate is COC(=O)CCc1cnc2ccc(-c3ccccc3C)cc2c1.
What is the InChIKey of methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate?
The InChIKey is ZIECWRJCQPYFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-14-5-3-4-6-18(14)16-8-9-19-17(12-16)11-15(13-21-19)7-10-20(22)23-2/h3-6,8-9,11-13H,7,10H2,1-2H3.
What are the key properties of methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate?
methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate has a molecular weight of 305.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate is sourced from PubChem (CID 53465785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).