methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate

C15H15NO4 — CID 82667452

IUPACmethyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C15H15NO4/c1-9-6-12(14(17)8-15(18)20-3)11-7-10(19-2)4-5-13(11)16-9/h4-7H,8H2,1-3H3
InChIKeyVKLXCJJDPLTSCK-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.30
Rot. Bonds4

About methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate

methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate (PubChem CID 82667452) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
PubChem CID82667452
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C15H15NO4/c1-9-6-12(14(17)8-15(18)20-3)11-7-10(19-2)4-5-13(11)16-9/h4-7H,8H2,1-3H3
InChIKeyVKLXCJJDPLTSCK-UHFFFAOYSA-N
XLogP2.30
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide
CID 139018664
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 124590384
methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
CID 82578206
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 112787491

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate (CID 82667452) is methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate is COC(=O)CC(=O)c1cc(C)nc2ccc(OC)cc12.
What is the InChIKey of methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate?
The InChIKey is VKLXCJJDPLTSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-6-12(14(17)8-15(18)20-3)11-7-10(19-2)4-5-13(11)16-9/h4-7H,8H2,1-3H3.
What are the key properties of methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate?
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate has a molecular weight of 273.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate is sourced from PubChem (CID 82667452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).