methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate

C19H17NO4 — CID 67364544

IUPACmethyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c2nc(OC)ccc12
InChIInChI=1S/C19H17NO4/c1-22-17-11-9-14-15(19(21)23-2)8-10-16(18(14)20-17)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyCFUCHZIZRXCHRG-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.61
Rot. Bonds5

About methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate

methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate (PubChem CID 67364544) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
PubChem CID67364544
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
SMILESCOC(=O)c1ccc(OCc2ccccc2)c2nc(OC)ccc12
InChIInChI=1S/C19H17NO4/c1-22-17-11-9-14-15(19(21)23-2)8-10-16(18(14)20-17)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyCFUCHZIZRXCHRG-UHFFFAOYSA-N
XLogP3.61
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide
CID 143776854
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
methyl 2-methoxy-8-methylquinoline-5-carboxylate
CID 86241626
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate
CID 67366686
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
CID 142441350
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
dimethyl 4-phenylmethoxy-3-(5-phenylpentoxy)benzene-1,2-dicarboxylate
CID 139783989
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate
CID 67945020

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate?
The IUPAC name of methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate (CID 67364544) is methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate.
What is the SMILES notation for methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate?
The canonical SMILES for methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate is COC(=O)c1ccc(OCc2ccccc2)c2nc(OC)ccc12.
What is the InChIKey of methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate?
The InChIKey is CFUCHZIZRXCHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-22-17-11-9-14-15(19(21)23-2)8-10-16(18(14)20-17)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate?
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate is sourced from PubChem (CID 67364544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).