methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate

C16H19NO3 — CID 96709843

IUPACmethyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate
SMILESCOC(=O)Cc1ccc(OCC(C)C)c2ncccc12
InChIInChI=1S/C16H19NO3/c1-11(2)10-20-14-7-6-12(9-15(18)19-3)13-5-4-8-17-16(13)14/h4-8,11H,9-10H2,1-3H3
InChIKeyWMRGFVNWZKSAHX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate

methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate (PubChem CID 96709843) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate
PubChem CID96709843
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate
SMILESCOC(=O)Cc1ccc(OCC(C)C)c2ncccc12
InChIInChI=1S/C16H19NO3/c1-11(2)10-20-14-7-6-12(9-15(18)19-3)13-5-4-8-17-16(13)14/h4-8,11H,9-10H2,1-3H3
InChIKeyWMRGFVNWZKSAHX-UHFFFAOYSA-N
XLogP2.99
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclopentane-1-carboxamide
CID 100775150
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline
CID 96709857
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
CID 82550297
3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
CID 60863326
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
CID 68660527
1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
2-cyclopropyl-N-[8-(2-methylpropoxy)quinolin-5-yl]-2-propoxypropanamide
CID 133206007
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996

Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate?
The IUPAC name of methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate (CID 96709843) is methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate.
What is the SMILES notation for methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate?
The canonical SMILES for methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate is COC(=O)Cc1ccc(OCC(C)C)c2ncccc12.
What is the InChIKey of methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate?
The InChIKey is WMRGFVNWZKSAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(2)10-20-14-7-6-12(9-15(18)19-3)13-5-4-8-17-16(13)14/h4-8,11H,9-10H2,1-3H3.
What are the key properties of methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate?
methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate has a molecular weight of 273.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate is sourced from PubChem (CID 96709843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).