methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate

C20H19NO5 — CID 67366686

IUPACmethyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C(O)C(O)c2ccccc2)c2nc(OC)ccc12
InChIInChI=1S/C20H19NO5/c1-25-16-11-10-13-14(20(24)26-2)8-9-15(17(13)21-16)19(23)18(22)12-6-4-3-5-7-12/h3-11,18-19,22-23H,1-2H3
InChIKeyHLSGDDNUVTZBKI-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.80
Rot. Bonds5

About methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate

methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate (PubChem CID 67366686) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate
PubChem CID67366686
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C(O)C(O)c2ccccc2)c2nc(OC)ccc12
InChIInChI=1S/C20H19NO5/c1-25-16-11-10-13-14(20(24)26-2)8-9-15(17(13)21-16)19(23)18(22)12-6-4-3-5-7-12/h3-11,18-19,22-23H,1-2H3
InChIKeyHLSGDDNUVTZBKI-UHFFFAOYSA-N
XLogP2.80
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methoxy-8-methylquinoline-5-carboxylate
CID 86241626
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
ethyl 8-[(1S)-1,2-dihydroxyethyl]-2-methoxyquinoline-5-carboxylate
CID 67350300
methyl 2-methoxy-8-(oxiran-2-yl)quinoline-5-carboxylate
CID 86241636
N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide
CID 10269225
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
CID 121333803
2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide
CID 143776854
methyl 2-[hydroxy(phenyl)methyl]-7-methoxy-1-benzofuran-4-carboxylate
CID 90942323
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 1-(1-chloroethyl)-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylate
CID 134178856
dimethyl 2-methoxy-5-methylpyrido[3,2-b]indole-8,9-dicarboxylate
CID 10544249

Frequently Asked Questions

What is the IUPAC name of methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate?
The IUPAC name of methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate (CID 67366686) is methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate.
What is the SMILES notation for methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate?
The canonical SMILES for methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate is COC(=O)c1ccc(C(O)C(O)c2ccccc2)c2nc(OC)ccc12.
What is the InChIKey of methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate?
The InChIKey is HLSGDDNUVTZBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-25-16-11-10-13-14(20(24)26-2)8-9-15(17(13)21-16)19(23)18(22)12-6-4-3-5-7-12/h3-11,18-19,22-23H,1-2H3.
What are the key properties of methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate?
methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(1,2-dihydroxy-2-phenylethyl)-2-methoxyquinoline-5-carboxylate is sourced from PubChem (CID 67366686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).