methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate

C20H19NO4 — CID 53113065

IUPACmethyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2C)c2cc(OC)ccc2n1
InChIInChI=1S/C20H19NO4/c1-13-6-4-5-7-14(13)12-25-19-11-18(20(22)24-3)21-17-9-8-15(23-2)10-16(17)19/h4-11H,12H2,1-3H3
InChIKeyXGXMRIOHOOEUIB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.92
Rot. Bonds5

About methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate

methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate (PubChem CID 53113065) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
PubChem CID53113065
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namemethyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2C)c2cc(OC)ccc2n1
InChIInChI=1S/C20H19NO4/c1-13-6-4-5-7-14(13)12-25-19-11-18(20(22)24-3)21-17-9-8-15(23-2)10-16(17)19/h4-11H,12H2,1-3H3
InChIKeyXGXMRIOHOOEUIB-UHFFFAOYSA-N
XLogP3.92
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
CID 53113052
methyl 6-methoxy-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53113031
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53043317
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
methyl 4-[(2-chloro-4-fluorophenyl)methoxy]quinoline-2-carboxylate
CID 53112967
methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113151

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate (CID 53113065) is methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCc2ccccc2C)c2cc(OC)ccc2n1.
What is the InChIKey of methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate?
The InChIKey is XGXMRIOHOOEUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-6-4-5-7-14(13)12-25-19-11-18(20(22)24-3)21-17-9-8-15(23-2)10-16(17)19/h4-11H,12H2,1-3H3.
What are the key properties of methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate?
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53113065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).