methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate

C17H21NO2 — CID 82575128

IUPACmethyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
SMILESCCCCc1ccc2nc(CC(=O)OC)cc(C)c2c1
InChIInChI=1S/C17H21NO2/c1-4-5-6-13-7-8-16-15(10-13)12(2)9-14(18-16)11-17(19)20-3/h7-10H,4-6,11H2,1-3H3
InChIKeyCWGPPNFMJZOVKX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.60
Rot. Bonds5

About methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate

methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate (PubChem CID 82575128) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
PubChem CID82575128
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namemethyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
SMILESCCCCc1ccc2nc(CC(=O)OC)cc(C)c2c1
InChIInChI=1S/C17H21NO2/c1-4-5-6-13-7-8-16-15(10-13)12(2)9-14(18-16)11-17(19)20-3/h7-10H,4-6,11H2,1-3H3
InChIKeyCWGPPNFMJZOVKX-UHFFFAOYSA-N
XLogP3.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
methyl 6-butyl-4-methylquinoline-2-carboxylate
CID 82574615
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
CID 82575144
2-(6-ethyl-4-methylquinolin-2-yl)acetamide
CID 82575332
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136
methyl 2-(2-benzyl-5-pentylphenyl)acetate
CID 121334690
2-chloro-6-hexyl-4-methylquinoline
CID 86217058
methyl 2-[4-(2,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435426

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate?
The IUPAC name of methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate (CID 82575128) is methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate is CCCCc1ccc2nc(CC(=O)OC)cc(C)c2c1.
What is the InChIKey of methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate?
The InChIKey is CWGPPNFMJZOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-5-6-13-7-8-16-15(10-13)12(2)9-14(18-16)11-17(19)20-3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate?
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate has a molecular weight of 271.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate is sourced from PubChem (CID 82575128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).