methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate

C13H13NO4 — CID 171864271

IUPACmethyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
SMILESCOC(=O)C(O)C(O)c1ccc2ncccc2c1
InChIInChI=1S/C13H13NO4/c1-18-13(17)12(16)11(15)9-4-5-10-8(7-9)3-2-6-14-10/h2-7,11-12,15-16H,1H3
InChIKeyAEDVIOWPIBHXJN-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.80
Rot. Bonds3

About methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate

methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate (PubChem CID 171864271) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
PubChem CID171864271
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
SMILESCOC(=O)C(O)C(O)c1ccc2ncccc2c1
InChIInChI=1S/C13H13NO4/c1-18-13(17)12(16)11(15)9-4-5-10-8(7-9)3-2-6-14-10/h2-7,11-12,15-16H,1H3
InChIKeyAEDVIOWPIBHXJN-UHFFFAOYSA-N
XLogP0.80
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide
CID 125463975
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate (CID 171864271) is methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate is COC(=O)C(O)C(O)c1ccc2ncccc2c1.
What is the InChIKey of methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate?
The InChIKey is AEDVIOWPIBHXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-18-13(17)12(16)11(15)9-4-5-10-8(7-9)3-2-6-14-10/h2-7,11-12,15-16H,1H3.
What are the key properties of methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate?
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate has a molecular weight of 247.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate is sourced from PubChem (CID 171864271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).