methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate

C15H17NO3 — CID 66487519

IUPACmethyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1cc(C)c(=O)c2cc(C)cc(C)c21
InChIInChI=1S/C15H17NO3/c1-9-5-10(2)14-12(6-9)15(18)11(3)7-16(14)8-13(17)19-4/h5-7H,8H2,1-4H3
InChIKeyGVGSUPZNGKRQII-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.10
Rot. Bonds2

About methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate

methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate (PubChem CID 66487519) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate
PubChem CID66487519
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1cc(C)c(=O)c2cc(C)cc(C)c21
InChIInChI=1S/C15H17NO3/c1-9-5-10(2)14-12(6-9)15(18)11(3)7-16(14)8-13(17)19-4/h5-7H,8H2,1-4H3
InChIKeyGVGSUPZNGKRQII-UHFFFAOYSA-N
XLogP2.10
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
CID 66487510
methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate
CID 83948562
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid
CID 82247569
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate;2-(4-methyl-2-oxo-1-pyridinyl)acetic acid
CID 160822702
2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide
CID 46397884
methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 141498865
methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate
CID 134405471
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768430
tert-butyl 2-(5,7-dimethylindol-1-yl)acetate
CID 70291358

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate (CID 66487519) is methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate is COC(=O)Cn1cc(C)c(=O)c2cc(C)cc(C)c21.
What is the InChIKey of methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate?
The InChIKey is GVGSUPZNGKRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-5-10(2)14-12(6-9)15(18)11(3)7-16(14)8-13(17)19-4/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate?
methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate has a molecular weight of 259.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 66487519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).