methyl 4-methyl-2-quinolin-2-ylpentanoate

C16H19NO2 — CID 174662465

IUPACmethyl 4-methyl-2-quinolin-2-ylpentanoate
SMILESCOC(=O)C(CC(C)C)c1ccc2ccccc2n1
InChIInChI=1S/C16H19NO2/c1-11(2)10-13(16(18)19-3)15-9-8-12-6-4-5-7-14(12)17-15/h4-9,11,13H,10H2,1-3H3
InChIKeyUSSIBDGPQHWDSJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.54
Rot. Bonds4

About methyl 4-methyl-2-quinolin-2-ylpentanoate

methyl 4-methyl-2-quinolin-2-ylpentanoate (PubChem CID 174662465) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-methyl-2-quinolin-2-ylpentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-quinolin-2-ylpentanoate
PubChem CID174662465
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 4-methyl-2-quinolin-2-ylpentanoate
SMILESCOC(=O)C(CC(C)C)c1ccc2ccccc2n1
InChIInChI=1S/C16H19NO2/c1-11(2)10-13(16(18)19-3)15-9-8-12-6-4-5-7-14(12)17-15/h4-9,11,13H,10H2,1-3H3
InChIKeyUSSIBDGPQHWDSJ-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-quinolin-2-ylhexanoate
CID 116645151
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
methyl 4-methyl-2-[6-(4-methylpentanoylamino)-2-pyridinyl]pentanoate
CID 175343816
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
tert-butyl 2-quinolin-2-ylpropanoate
CID 116645148
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-quinolin-2-ylpentanoate?
The IUPAC name of methyl 4-methyl-2-quinolin-2-ylpentanoate (CID 174662465) is methyl 4-methyl-2-quinolin-2-ylpentanoate.
What is the SMILES notation for methyl 4-methyl-2-quinolin-2-ylpentanoate?
The canonical SMILES for methyl 4-methyl-2-quinolin-2-ylpentanoate is COC(=O)C(CC(C)C)c1ccc2ccccc2n1.
What is the InChIKey of methyl 4-methyl-2-quinolin-2-ylpentanoate?
The InChIKey is USSIBDGPQHWDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)10-13(16(18)19-3)15-9-8-12-6-4-5-7-14(12)17-15/h4-9,11,13H,10H2,1-3H3.
What are the key properties of methyl 4-methyl-2-quinolin-2-ylpentanoate?
methyl 4-methyl-2-quinolin-2-ylpentanoate has a molecular weight of 257.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-quinolin-2-ylpentanoate is sourced from PubChem (CID 174662465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).