methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate

C14H19NO4 — CID 117417057

IUPACmethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
SMILESCOC(=O)C(O)c1ccc2c(c1OC)CCCN2C
InChIInChI=1S/C14H19NO4/c1-15-8-4-5-9-11(15)7-6-10(13(9)18-2)12(16)14(17)19-3/h6-7,12,16H,4-5,8H2,1-3H3
InChIKeyYBRWKFVIXSNCSZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate

methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate (PubChem CID 117417057) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
PubChem CID117417057
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
SMILESCOC(=O)C(O)c1ccc2c(c1OC)CCCN2C
InChIInChI=1S/C14H19NO4/c1-15-8-4-5-9-11(15)7-6-10(13(9)18-2)12(16)14(17)19-3/h6-7,12,16H,4-5,8H2,1-3H3
InChIKeyYBRWKFVIXSNCSZ-UHFFFAOYSA-N
XLogP1.28
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117447810
2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoacetic acid
CID 117375678
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]hydroxylamine
CID 117318550
1-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropan-1-ol
CID 117338640
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
3-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117463567
4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
CID 117374655
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
CID 117447811
6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol
CID 84699522

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate (CID 117417057) is methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate is COC(=O)C(O)c1ccc2c(c1OC)CCCN2C.
What is the InChIKey of methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate?
The InChIKey is YBRWKFVIXSNCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15-8-4-5-9-11(15)7-6-10(13(9)18-2)12(16)14(17)19-3/h6-7,12,16H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate?
methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate is sourced from PubChem (CID 117417057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).