methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate

C15H21NO2 — CID 79624325

IUPACmethyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-15(2,14(17)18-3)11-16-10-6-8-12-7-4-5-9-13(12)16/h4-5,7,9H,6,8,10-11H2,1-3H3
InChIKeyISXRYVHQFQVUHS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate

methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate (PubChem CID 79624325) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
PubChem CID79624325
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-15(2,14(17)18-3)11-16-10-6-8-12-7-4-5-9-13(12)16/h4-5,7,9H,6,8,10-11H2,1-3H3
InChIKeyISXRYVHQFQVUHS-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,2-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoate
CID 79619970
1-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpropan-2-amine
CID 62846942
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507115
fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 145056467
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
CID 55050873
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
CID 82116491
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
CID 62277904
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate (CID 79624325) is methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CCCc2ccccc21.
What is the InChIKey of methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is ISXRYVHQFQVUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,14(17)18-3)11-16-10-6-8-12-7-4-5-9-13(12)16/h4-5,7,9H,6,8,10-11H2,1-3H3.
What are the key properties of methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79624325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).