methyl 2-hydroxy-2-quinolin-8-ylacetate

C12H11NO3 — CID 63968731

IUPACmethyl 2-hydroxy-2-quinolin-8-ylacetate
SMILESCOC(=O)C(O)c1cccc2cccnc12
InChIInChI=1S/C12H11NO3/c1-16-12(15)11(14)9-6-2-4-8-5-3-7-13-10(8)9/h2-7,11,14H,1H3
InChIKeyJUQJMIHERYSXLJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.44
Rot. Bonds2

About methyl 2-hydroxy-2-quinolin-8-ylacetate

methyl 2-hydroxy-2-quinolin-8-ylacetate (PubChem CID 63968731) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-hydroxy-2-quinolin-8-ylacetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-quinolin-8-ylacetate
PubChem CID63968731
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 2-hydroxy-2-quinolin-8-ylacetate
SMILESCOC(=O)C(O)c1cccc2cccnc12
InChIInChI=1S/C12H11NO3/c1-16-12(15)11(14)9-6-2-4-8-5-3-7-13-10(8)9/h2-7,11,14H,1H3
InChIKeyJUQJMIHERYSXLJ-UHFFFAOYSA-N
XLogP1.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918
methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate
CID 63969784
methyl 2-(1,3-benzothiazol-4-yl)-2-hydroxyacetate
CID 117319556
methyl 4-amino-3-quinolin-8-ylpentanoate
CID 66097911
3-methoxy-1-quinolin-8-ylbutan-1-ol
CID 113391294
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate
CID 117346029
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
[(4-methoxyphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105190768
ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate
CID 90870116

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-quinolin-8-ylacetate?
The IUPAC name of methyl 2-hydroxy-2-quinolin-8-ylacetate (CID 63968731) is methyl 2-hydroxy-2-quinolin-8-ylacetate.
What is the SMILES notation for methyl 2-hydroxy-2-quinolin-8-ylacetate?
The canonical SMILES for methyl 2-hydroxy-2-quinolin-8-ylacetate is COC(=O)C(O)c1cccc2cccnc12.
What is the InChIKey of methyl 2-hydroxy-2-quinolin-8-ylacetate?
The InChIKey is JUQJMIHERYSXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-16-12(15)11(14)9-6-2-4-8-5-3-7-13-10(8)9/h2-7,11,14H,1H3.
What are the key properties of methyl 2-hydroxy-2-quinolin-8-ylacetate?
methyl 2-hydroxy-2-quinolin-8-ylacetate has a molecular weight of 217.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-quinolin-8-ylacetate is sourced from PubChem (CID 63968731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).