methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate

C15H15NO4 — CID 59335917

IUPACmethyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate
SMILESCOC(=O)C(C)C(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C15H15NO4/c1-9(15(18)20-3)14(17)11-6-7-12(19-2)13-10(11)5-4-8-16-13/h4-9H,1-3H3
InChIKeyMVPQERWFWSLULP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.24
Rot. Bonds4

About methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate

methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate (PubChem CID 59335917) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate
PubChem CID59335917
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate
SMILESCOC(=O)C(C)C(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C15H15NO4/c1-9(15(18)20-3)14(17)11-6-7-12(19-2)13-10(11)5-4-8-16-13/h4-9H,1-3H3
InChIKeyMVPQERWFWSLULP-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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

(E)-4-(8-methoxyquinolin-5-yl)-4-oxobut-2-enoic acid
CID 93193155
propan-2-yl 5-methoxyquinoline-8-carboxylate
CID 67977903
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
N-(8-methoxyquinolin-5-yl)-2-propan-2-ylsulfonylacetamide
CID 86835306
ethyl 2-[(8-methoxyquinoline-5-carbonyl)-methylamino]acetate
CID 10470169
8-ethoxyquinoline-5-carbohydrazide
CID 84613958
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
CID 26823129
1-(8-methoxyquinolin-5-yl)-2-morpholin-4-ylethanone
CID 93193171
3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one
CID 93193167
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294

Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate?
The IUPAC name of methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate (CID 59335917) is methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate.
What is the SMILES notation for methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate?
The canonical SMILES for methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate is COC(=O)C(C)C(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate?
The InChIKey is MVPQERWFWSLULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9(15(18)20-3)14(17)11-6-7-12(19-2)13-10(11)5-4-8-16-13/h4-9H,1-3H3.
What are the key properties of methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate?
methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate has a molecular weight of 273.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate is sourced from PubChem (CID 59335917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).