(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate

C14H15NO4 — CID 945916

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C14H15NO4/c1-9-4-3-5-10-6-11(14(17)15-13(9)10)7-19-12(16)8-18-2/h3-6H,7-8H2,1-2H3,(H,15,17)
InChIKeyXCCWRFRACSHYAS-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.53
Rot. Bonds4

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate (PubChem CID 945916) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
PubChem CID945916
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
SMILESCOCC(=O)OCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C14H15NO4/c1-9-4-3-5-10-6-11(14(17)15-13(9)10)7-19-12(16)8-18-2/h3-6H,7-8H2,1-2H3,(H,15,17)
InChIKeyXCCWRFRACSHYAS-UHFFFAOYSA-N
XLogP1.53
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 665140
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate
CID 663849
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 664764
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 664889
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl tetrahydrofuran-2-carboxylate
CID 665765
[2-[2,6-Di(propan-2-yl)anilino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 3557005
3-(methoxymethyl)-4-methyl-1H-quinolin-2-one
CID 162666837
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 663615
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
CID 663763
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methylpropanoate
CID 664123

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate (CID 945916) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate is COCC(=O)OCc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate?
The InChIKey is XCCWRFRACSHYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-4-3-5-10-6-11(14(17)15-13(9)10)7-19-12(16)8-18-2/h3-6H,7-8H2,1-2H3,(H,15,17).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate has a molecular weight of 261.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate is sourced from PubChem (CID 945916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).