methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate

C22H23NO4 — CID 2183287

IUPACmethyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C22H23NO4/c1-16-12-13-17-8-7-11-20(21(17)23-16)27-15-6-5-14-26-19-10-4-3-9-18(19)22(24)25-2/h3-4,7-13H,5-6,14-15H2,1-2H3
InChIKeyMPOXTSKZRYNJBI-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.57
Rot. Bonds8

About methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate

methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate (PubChem CID 2183287) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
PubChem CID2183287
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Namemethyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCCCOc1cccc2ccc(C)nc12
InChIInChI=1S/C22H23NO4/c1-16-12-13-17-8-7-11-20(21(17)23-16)27-15-6-5-14-26-19-10-4-3-9-18(19)22(24)25-2/h3-4,7-13H,5-6,14-15H2,1-2H3
InChIKeyMPOXTSKZRYNJBI-UHFFFAOYSA-N
XLogP4.57
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
8-[4-(2,6-dimethylphenoxy)butoxy]-2-methylquinoline;oxalic acid
CID 2934693
methyl 2-(4-bromobutoxy)benzoate
CID 11066070
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
2-methyl-8-[4-(2-nitrophenoxy)butoxy]quinoline
CID 2182124
N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74243480
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-(2-aminoethoxy)benzoate
CID 14273287
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
2-(2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 40512034
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate?
The IUPAC name of methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate (CID 2183287) is methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate.
What is the SMILES notation for methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate?
The canonical SMILES for methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate is COC(=O)c1ccccc1OCCCCOc1cccc2ccc(C)nc12.
What is the InChIKey of methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate?
The InChIKey is MPOXTSKZRYNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-16-12-13-17-8-7-11-20(21(17)23-16)27-15-6-5-14-26-19-10-4-3-9-18(19)22(24)25-2/h3-4,7-13H,5-6,14-15H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate?
methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate has a molecular weight of 365.43 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate is sourced from PubChem (CID 2183287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).