methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate

C17H25NO2 — CID 132649714

IUPACmethyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)N1c2ccccc2C(C)CC1(C)C
InChIInChI=1S/C17H25NO2/c1-12-11-16(2,3)18(17(4,5)15(19)20-6)14-10-8-7-9-13(12)14/h7-10,12H,11H2,1-6H3
InChIKeyUJAAJGOHRJYIEQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.73
Rot. Bonds2

About methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate

methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate (PubChem CID 132649714) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
PubChem CID132649714
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)N1c2ccccc2C(C)CC1(C)C
InChIInChI=1S/C17H25NO2/c1-12-11-16(2,3)18(17(4,5)15(19)20-6)14-10-8-7-9-13(12)14/h7-10,12H,11H2,1-6H3
InChIKeyUJAAJGOHRJYIEQ-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate with MolForge

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Related Compounds

methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate
CID 132650294
methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate
CID 125044510
phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
CID 903985
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate
CID 3017456
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
CID 23368968
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
CID 20695985
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide
CID 132649450
2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1459384
(4S)-N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
CID 737950
[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate
CID 19690328
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide
CID 132649720
(2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone
CID 3102163

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate (CID 132649714) is methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate is COC(=O)C(C)(C)N1c2ccccc2C(C)CC1(C)C.
What is the InChIKey of methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate?
The InChIKey is UJAAJGOHRJYIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-11-16(2,3)18(17(4,5)15(19)20-6)14-10-8-7-9-13(12)14/h7-10,12H,11H2,1-6H3.
What are the key properties of methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate?
methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate is sourced from PubChem (CID 132649714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).