methyl 2-quinolin-2-ylhexanoate

C16H19NO2 — CID 116645151

IUPACmethyl 2-quinolin-2-ylhexanoate
SMILESCCCCC(C(=O)OC)c1ccc2ccccc2n1
InChIInChI=1S/C16H19NO2/c1-3-4-8-13(16(18)19-2)15-11-10-12-7-5-6-9-14(12)17-15/h5-7,9-11,13H,3-4,8H2,1-2H3
InChIKeyQBHWNIVWZGTLCL-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.68
Rot. Bonds5

About methyl 2-quinolin-2-ylhexanoate

methyl 2-quinolin-2-ylhexanoate (PubChem CID 116645151) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-quinolin-2-ylhexanoate.

Molecular Properties

Compound Namemethyl 2-quinolin-2-ylhexanoate
PubChem CID116645151
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 2-quinolin-2-ylhexanoate
SMILESCCCCC(C(=O)OC)c1ccc2ccccc2n1
InChIInChI=1S/C16H19NO2/c1-3-4-8-13(16(18)19-2)15-11-10-12-7-5-6-9-14(12)17-15/h5-7,9-11,13H,3-4,8H2,1-2H3
InChIKeyQBHWNIVWZGTLCL-UHFFFAOYSA-N
XLogP3.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-2-quinolin-2-ylpentanoate
CID 174662465
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
1-quinolin-2-yloctan-1-amine
CID 63222846
3-ethyl-1-quinolin-2-ylheptan-1-amine
CID 63222758
methyl 2-phenylheptanoate
CID 143443478
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
methyl 2-(7-methyl-1-benzofuran-2-yl)hexanoate
CID 114732671
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
methyl 2-quinolin-3-yloxyhexanoate
CID 107386801

Frequently Asked Questions

What is the IUPAC name of methyl 2-quinolin-2-ylhexanoate?
The IUPAC name of methyl 2-quinolin-2-ylhexanoate (CID 116645151) is methyl 2-quinolin-2-ylhexanoate.
What is the SMILES notation for methyl 2-quinolin-2-ylhexanoate?
The canonical SMILES for methyl 2-quinolin-2-ylhexanoate is CCCCC(C(=O)OC)c1ccc2ccccc2n1.
What is the InChIKey of methyl 2-quinolin-2-ylhexanoate?
The InChIKey is QBHWNIVWZGTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-4-8-13(16(18)19-2)15-11-10-12-7-5-6-9-14(12)17-15/h5-7,9-11,13H,3-4,8H2,1-2H3.
What are the key properties of methyl 2-quinolin-2-ylhexanoate?
methyl 2-quinolin-2-ylhexanoate has a molecular weight of 257.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-quinolin-2-ylhexanoate is sourced from PubChem (CID 116645151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).