methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate

C25H21NO5 — CID 175032455

IUPACmethyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccccc1Oc1ccnc2cc(OCc3ccccc3)c(OC)cc12
InChIInChI=1S/C25H21NO5/c1-28-23-14-19-20(15-24(23)30-16-17-8-4-3-5-9-17)26-13-12-22(19)31-21-11-7-6-10-18(21)25(27)29-2/h3-15H,16H2,1-2H3
InChIKeyGDWPEJCSZIYIPE-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.40
Rot. Bonds7

About methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate

methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate (PubChem CID 175032455) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
PubChem CID175032455
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Namemethyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccccc1Oc1ccnc2cc(OCc3ccccc3)c(OC)cc12
InChIInChI=1S/C25H21NO5/c1-28-23-14-19-20(15-24(23)30-16-17-8-4-3-5-9-17)26-13-12-22(19)31-21-11-7-6-10-18(21)25(27)29-2/h3-15H,16H2,1-2H3
InChIKeyGDWPEJCSZIYIPE-UHFFFAOYSA-N
XLogP5.40
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 69396264
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
6-methoxy-4-[(5-nitro-2-pyridinyl)oxy]-7-phenylmethoxyquinoline
CID 68837215
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
methyl 2-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-hydroxyphenyl]carbamoylcarbamoylamino]benzoate
CID 91515267
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate?
The IUPAC name of methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate (CID 175032455) is methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate?
The canonical SMILES for methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate is COC(=O)c1ccccc1Oc1ccnc2cc(OCc3ccccc3)c(OC)cc12.
What is the InChIKey of methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate?
The InChIKey is GDWPEJCSZIYIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-28-23-14-19-20(15-24(23)30-16-17-8-4-3-5-9-17)26-13-12-22(19)31-21-11-7-6-10-18(21)25(27)29-2/h3-15H,16H2,1-2H3.
What are the key properties of methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate?
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate has a molecular weight of 415.45 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate is sourced from PubChem (CID 175032455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).