methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate

C23H25NO4 — CID 18008059

IUPACmethyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate
SMILESCOC(=O)c1c(C)cccc1COCCCOCc1ccc2ccccc2n1
InChIInChI=1S/C23H25NO4/c1-17-7-5-9-19(22(17)23(25)26-2)15-27-13-6-14-28-16-20-12-11-18-8-3-4-10-21(18)24-20/h3-5,7-12H,6,13-16H2,1-2H3
InChIKeyGMVMTWGDXADLTF-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.45
Rot. Bonds9

About methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate

methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate (PubChem CID 18008059) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate
PubChem CID18008059
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namemethyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate
SMILESCOC(=O)c1c(C)cccc1COCCCOCc1ccc2ccccc2n1
InChIInChI=1S/C23H25NO4/c1-17-7-5-9-19(22(17)23(25)26-2)15-27-13-6-14-28-16-20-12-11-18-8-3-4-10-21(18)24-20/h3-5,7-12H,6,13-16H2,1-2H3
InChIKeyGMVMTWGDXADLTF-UHFFFAOYSA-N
XLogP4.45
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.45
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

methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate;2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoic acid
CID 157213046
2-methyl-6-[2-[5-(quinolin-2-ylmethoxy)pentoxy]ethyl]benzoic acid
CID 174451431
methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241371
2-(dodecoxymethyl)quinoline
CID 14754989
methyl 2-methyl-6-[[3-(2-quinolin-2-ylethenyl)phenoxy]methyl]benzoate
CID 90826345
2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid
CID 21014301
5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one
CID 20597909
2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid
CID 22241421
2-(3-hydroxypropoxymethyl)-6-methylbenzoic acid
CID 68592642
5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol
CID 142024751
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate?
The IUPAC name of methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate (CID 18008059) is methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate.
What is the SMILES notation for methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate?
The canonical SMILES for methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate is COC(=O)c1c(C)cccc1COCCCOCc1ccc2ccccc2n1.
What is the InChIKey of methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate?
The InChIKey is GMVMTWGDXADLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-17-7-5-9-19(22(17)23(25)26-2)15-27-13-6-14-28-16-20-12-11-18-8-3-4-10-21(18)24-20/h3-5,7-12H,6,13-16H2,1-2H3.
What are the key properties of methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate?
methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate has a molecular weight of 379.46 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate is sourced from PubChem (CID 18008059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).