methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate

C14H15NO3 — CID 63971839

IUPACmethyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
SMILESCOC(=O)C(C)C(O)c1ccc2ncccc2c1
InChIInChI=1S/C14H15NO3/c1-9(14(17)18-2)13(16)11-5-6-12-10(8-11)4-3-7-15-12/h3-9,13,16H,1-2H3
InChIKeyIQZZOAYJIGLGHY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.08
Rot. Bonds3

About methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate

methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate (PubChem CID 63971839) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
PubChem CID63971839
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
SMILESCOC(=O)C(C)C(O)c1ccc2ncccc2c1
InChIInChI=1S/C14H15NO3/c1-9(14(17)18-2)13(16)11-5-6-12-10(8-11)4-3-7-15-12/h3-9,13,16H,1-2H3
InChIKeyIQZZOAYJIGLGHY-UHFFFAOYSA-N
XLogP2.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide
CID 125463975
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
methyl 3-methyl-2-(quinolin-6-ylmethylideneamino)butanoate
CID 175059701

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate?
The IUPAC name of methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate (CID 63971839) is methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate is COC(=O)C(C)C(O)c1ccc2ncccc2c1.
What is the InChIKey of methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate?
The InChIKey is IQZZOAYJIGLGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(14(17)18-2)13(16)11-5-6-12-10(8-11)4-3-7-15-12/h3-9,13,16H,1-2H3.
What are the key properties of methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate?
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate has a molecular weight of 245.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate is sourced from PubChem (CID 63971839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).