3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one

C26H20FN3O5 — CID 91145743

IUPAC3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one
SMILESCOc1cc2c(Oc3ccc(-n4c(O)c[nH]c4=O)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C26H20FN3O5/c1-33-23-12-18-20(13-24(23)34-15-16-5-3-2-4-6-16)28-10-9-21(18)35-22-8-7-17(11-19(22)27)30-25(31)14-29-26(30)32/h2-14,31H,15H2,1H3,(H,29,32)
InChIKeyVCYRNRNKOKKNTO-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.94
Rot. Bonds7

About 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one

3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 91145743) has the molecular formula C26H20FN3O5 and a molecular weight of 473.46 g/mol. Its IUPAC name is 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one
PubChem CID91145743
Molecular FormulaC26H20FN3O5
Molecular Weight473.46 g/mol
Exact Mass473.14
IUPAC Name3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one
SMILESCOc1cc2c(Oc3ccc(-n4c(O)c[nH]c4=O)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C26H20FN3O5/c1-33-23-12-18-20(13-24(23)34-15-16-5-3-2-4-6-16)28-10-9-21(18)35-22-8-7-17(11-19(22)27)30-25(31)14-29-26(30)32/h2-14,31H,15H2,1H3,(H,29,32)
InChIKeyVCYRNRNKOKKNTO-UHFFFAOYSA-N
XLogP4.94
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one with MolForge

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Related Compounds

1-benzyl-4-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]piperazine-2,5-dione
CID 58751816
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 69396264
1-N'-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 170901391
[4-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]piperazin-1-yl]-phenylmethanone
CID 58170285
3-benzyl-1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-hydroxyimidazol-2-one
CID 90926764
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
1-benzyl-1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]imidazolidin-1-ium-2-one
CID 87237886
1-benzyl-4-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]piperazine-2,5-dione
CID 11858370
6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517
N'-benzylsulfonyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-phenylethanimidamide
CID 162674405

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one (CID 91145743) is 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one is COc1cc2c(Oc3ccc(-n4c(O)c[nH]c4=O)cc3F)ccnc2cc1OCc1ccccc1.
What is the InChIKey of 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is VCYRNRNKOKKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O5/c1-33-23-12-18-20(13-24(23)34-15-16-5-3-2-4-6-16)28-10-9-21(18)35-22-8-7-17(11-19(22)27)30-25(31)14-29-26(30)32/h2-14,31H,15H2,1H3,(H,29,32).
What are the key properties of 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one?
3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 473.46 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 91145743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).