tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate

C17H25NO2 — CID 64688932

IUPACtert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate
SMILESCC1Cc2ccccc2N(C(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25NO2/c1-12-10-14-8-6-7-9-15(14)18(11-12)13(2)16(19)20-17(3,4)5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyJPLHYNOIXYRZHZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.42
Rot. Bonds2

About tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate

tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate (PubChem CID 64688932) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate
PubChem CID64688932
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate
SMILESCC1Cc2ccccc2N(C(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25NO2/c1-12-10-14-8-6-7-9-15(14)18(11-12)13(2)16(19)20-17(3,4)5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyJPLHYNOIXYRZHZ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoate
CID 66339250
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
tert-butyl 2-(3-methyl-2-oxo-4H-quinazolin-1-yl)propanoate
CID 82007425
tert-butyl 2-(1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate
CID 66337936
3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
CID 63403968
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
4-amino-N-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 66426715
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 63404408
2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55196224

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate?
The IUPAC name of tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate (CID 64688932) is tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate is CC1Cc2ccccc2N(C(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate?
The InChIKey is JPLHYNOIXYRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-10-14-8-6-7-9-15(14)18(11-12)13(2)16(19)20-17(3,4)5/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate?
tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoate is sourced from PubChem (CID 64688932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).