methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate

C18H25NO2 — CID 132649846

IUPACmethyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate
SMILESCCC(C(=O)OC)N1c2c(C)cccc2C(C)=CC1(C)C
InChIInChI=1S/C18H25NO2/c1-7-15(17(20)21-6)19-16-12(2)9-8-10-14(16)13(3)11-18(19,4)5/h8-11,15H,7H2,1-6H3
InChIKeyJLRLCAGCKHZKDP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.95
Rot. Bonds3

About methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate

methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate (PubChem CID 132649846) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate
PubChem CID132649846
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Namemethyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate
SMILESCCC(C(=O)OC)N1c2c(C)cccc2C(C)=CC1(C)C
InChIInChI=1S/C18H25NO2/c1-7-15(17(20)21-6)19-16-12(2)9-8-10-14(16)13(3)11-18(19,4)5/h8-11,15H,7H2,1-6H3
InChIKeyJLRLCAGCKHZKDP-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate
CID 132650701
methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate
CID 132649976
(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone
CID 16584718
methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
CID 125044674
methyl (2R)-2-pyrrol-1-ylbutanoate
CID 100793863
3-hydroxy-9,11,11-trimethyl-3-(2-oxopropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one
CID 162368663
methyl 2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoate
CID 116989875
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
methyl (2S)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7666078
ethyl 2,6-dimethylbenzoate
CID 520807
methyl (2S)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7672051

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate?
The IUPAC name of methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate (CID 132649846) is methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate.
What is the SMILES notation for methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate?
The canonical SMILES for methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate is CCC(C(=O)OC)N1c2c(C)cccc2C(C)=CC1(C)C.
What is the InChIKey of methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate?
The InChIKey is JLRLCAGCKHZKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-7-15(17(20)21-6)19-16-12(2)9-8-10-14(16)13(3)11-18(19,4)5/h8-11,15H,7H2,1-6H3.
What are the key properties of methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate?
methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate has a molecular weight of 287.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate is sourced from PubChem (CID 132649846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).