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

C15H17NO3 — CID 107386776

IUPACmethyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate
SMILESCOC(=O)C(C)(C)COc1cnc2ccccc2c1
InChIInChI=1S/C15H17NO3/c1-15(2,14(17)18-3)10-19-12-8-11-6-4-5-7-13(11)16-9-12/h4-9H,10H2,1-3H3
InChIKeyXPMIVDWBTOOLSF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.81
Rot. Bonds4

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

methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate (PubChem CID 107386776) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate
PubChem CID107386776
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate
SMILESCOC(=O)C(C)(C)COc1cnc2ccccc2c1
InChIInChI=1S/C15H17NO3/c1-15(2,14(17)18-3)10-19-12-8-11-6-4-5-7-13(11)16-9-12/h4-9H,10H2,1-3H3
InChIKeyXPMIVDWBTOOLSF-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

2,2-dimethyl-3-quinolin-3-yloxypropane-1-thiol
CID 107388367
N,2,2-trimethyl-3-quinolin-3-yloxypropan-1-amine
CID 107387869
quinolin-3-yl 2,2,2-trifluoroacetate
CID 70210319
N-(3-methoxypropyl)-2-quinolin-3-yloxyacetamide
CID 110488006
N-(2-hydroxypropyl)-2-quinolin-3-yloxyacetamide
CID 110487992
methyl 3-[(6-formyl-3-pyridinyl)oxy]-2,2-dimethylpropanoate
CID 79794322
3-quinolin-3-yloxypropanamide
CID 107388241
2-quinolin-3-yloxyethanol
CID 102847036
N-prop-2-enyl-2-quinolin-3-yloxyacetamide
CID 110487984
3-(bromomethoxy)quinoline
CID 54277099
2-methoxy-N-(2-quinolin-3-yloxyethyl)ethanamine
CID 97034151
1-pyrrolidin-1-yl-2-quinolin-3-yloxyethanone
CID 110487998

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate?
The IUPAC name of methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate (CID 107386776) is methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate is COC(=O)C(C)(C)COc1cnc2ccccc2c1.
What is the InChIKey of methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate?
The InChIKey is XPMIVDWBTOOLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,14(17)18-3)10-19-12-8-11-6-4-5-7-13(11)16-9-12/h4-9H,10H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-quinolin-3-yloxypropanoate?
methyl 2,2-dimethyl-3-quinolin-3-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-3-yloxypropanoate is sourced from PubChem (CID 107386776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).