methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate

C16H19NO3 — CID 82575130

IUPACmethyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(C)c2cccc(OC(C)C)c2n1
InChIInChI=1S/C16H19NO3/c1-10(2)20-14-7-5-6-13-11(3)8-12(17-16(13)14)9-15(18)19-4/h5-8,10H,9H2,1-4H3
InChIKeyZVZCPHWFUOHMNA-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.05
Rot. Bonds4

About methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate

methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate (PubChem CID 82575130) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate
PubChem CID82575130
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(C)c2cccc(OC(C)C)c2n1
InChIInChI=1S/C16H19NO3/c1-10(2)20-14-7-5-6-13-11(3)8-12(17-16(13)14)9-15(18)19-4/h5-8,10H,9H2,1-4H3
InChIKeyZVZCPHWFUOHMNA-UHFFFAOYSA-N
XLogP3.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-8-propan-2-yloxyquinolin-2-yl)ethanol
CID 82575997
2-methoxy-6-(4-methyl-8-propan-2-yloxyquinolin-2-yl)phenol
CID 169410777
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
CID 82550297
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
CID 82575144
methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
CID 82575172
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
2,4-dichloro-8-propan-2-yloxyquinoline
CID 82581120
2-methyl-8-propan-2-yloxyquinoline-4-carbothioamide
CID 82574267
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N,N,3-trimethyl-2-(methylaminomethyl)-8-propan-2-yloxyquinolin-4-amine
CID 82250160

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate (CID 82575130) is methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate is COC(=O)Cc1cc(C)c2cccc(OC(C)C)c2n1.
What is the InChIKey of methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate?
The InChIKey is ZVZCPHWFUOHMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)20-14-7-5-6-13-11(3)8-12(17-16(13)14)9-15(18)19-4/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate?
methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate has a molecular weight of 273.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate is sourced from PubChem (CID 82575130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).