methyl 2-quinolin-3-yloxyhexanoate

C16H19NO3 — CID 107386801

IUPACmethyl 2-quinolin-3-yloxyhexanoate
SMILESCCCCC(Oc1cnc2ccccc2c1)C(=O)OC
InChIInChI=1S/C16H19NO3/c1-3-4-9-15(16(18)19-2)20-13-10-12-7-5-6-8-14(12)17-11-13/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyKSVZEYRJDGYJDO-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.35
Rot. Bonds6

About methyl 2-quinolin-3-yloxyhexanoate

methyl 2-quinolin-3-yloxyhexanoate (PubChem CID 107386801) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-quinolin-3-yloxyhexanoate.

Molecular Properties

Compound Namemethyl 2-quinolin-3-yloxyhexanoate
PubChem CID107386801
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-quinolin-3-yloxyhexanoate
SMILESCCCCC(Oc1cnc2ccccc2c1)C(=O)OC
InChIInChI=1S/C16H19NO3/c1-3-4-9-15(16(18)19-2)20-13-10-12-7-5-6-8-14(12)17-11-13/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyKSVZEYRJDGYJDO-UHFFFAOYSA-N
XLogP3.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-quinolin-3-yloxyhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(quinolin-3-ylamino)propanoylamino]hexanoate
CID 70160275
methyl 2-anthracen-1-yloxyhexadecanoate
CID 175607188
N-propyl-4-quinolin-3-yloxypentan-1-amine
CID 107387881
methyl 2-anthracen-1-yloxypentadecanoate
CID 175607148
(3R)-3-quinolin-3-yloxybutanoic acid
CID 107386787
2-quinolin-3-yloxybutan-1-amine
CID 107386996
N-methyl-4-quinolin-3-yloxypentan-1-amine
CID 107387882
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine
CID 107387870
butyl quinoline-3-carboxylate
CID 54753708
N-(3-methoxypropyl)-2-quinolin-3-yloxyacetamide
CID 110488006
2-phenyl-2-quinolin-3-yloxyacetic acid
CID 107386759
methyl 2-quinolin-2-ylhexanoate
CID 116645151

Frequently Asked Questions

What is the IUPAC name of methyl 2-quinolin-3-yloxyhexanoate?
The IUPAC name of methyl 2-quinolin-3-yloxyhexanoate (CID 107386801) is methyl 2-quinolin-3-yloxyhexanoate.
What is the SMILES notation for methyl 2-quinolin-3-yloxyhexanoate?
The canonical SMILES for methyl 2-quinolin-3-yloxyhexanoate is CCCCC(Oc1cnc2ccccc2c1)C(=O)OC.
What is the InChIKey of methyl 2-quinolin-3-yloxyhexanoate?
The InChIKey is KSVZEYRJDGYJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-4-9-15(16(18)19-2)20-13-10-12-7-5-6-8-14(12)17-11-13/h5-8,10-11,15H,3-4,9H2,1-2H3.
What are the key properties of methyl 2-quinolin-3-yloxyhexanoate?
methyl 2-quinolin-3-yloxyhexanoate has a molecular weight of 273.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-quinolin-3-yloxyhexanoate is sourced from PubChem (CID 107386801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).