methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate

C15H17NO3 — CID 79622266

IUPACmethyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
SMILESCOC(=O)C(C)(C)COc1cccc2cccnc12
InChIInChI=1S/C15H17NO3/c1-15(2,14(17)18-3)10-19-12-8-4-6-11-7-5-9-16-13(11)12/h4-9H,10H2,1-3H3
InChIKeyQZTPIDDGPJTDBA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.81
Rot. Bonds4

About methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate

methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate (PubChem CID 79622266) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
PubChem CID79622266
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
SMILESCOC(=O)C(C)(C)COc1cccc2cccnc12
InChIInChI=1S/C15H17NO3/c1-15(2,14(17)18-3)10-19-12-8-4-6-11-7-5-9-16-13(11)12/h4-9H,10H2,1-3H3
InChIKeyQZTPIDDGPJTDBA-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
2-quinolin-8-yloxyacetate
CID 6950984
1-(ethylamino)-2-methyl-3-quinolin-8-yloxypropan-2-ol
CID 66336093
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
N-(2-tert-butylphenyl)-2-quinolin-8-yloxyacetamide
CID 31050049
2-methyl-1-(propylamino)-3-quinolin-8-yloxypropan-2-ol
CID 66335947
2-cyclopropyl-2-(methylamino)-3-quinolin-8-yloxypropanoic acid
CID 63921545
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
S-(4-methylphenyl) 2-quinolin-8-yloxyethanethioate
CID 10267346

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate?
The IUPAC name of methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate (CID 79622266) is methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate is COC(=O)C(C)(C)COc1cccc2cccnc12.
What is the InChIKey of methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate?
The InChIKey is QZTPIDDGPJTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,14(17)18-3)10-19-12-8-4-6-11-7-5-9-16-13(11)12/h4-9H,10H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate?
methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate has a molecular weight of 259.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate is sourced from PubChem (CID 79622266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).