methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate

C26H19Cl2NO4 — CID 3909909

IUPACmethyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(C=Cc3ccc4c(Cl)cc(Cl)c(O)c4n3)cc2)cc1
InChIInChI=1S/C26H19Cl2NO4/c1-32-26(31)18-7-2-17(3-8-18)15-33-20-11-5-16(6-12-20)4-9-19-10-13-21-22(27)14-23(28)25(30)24(21)29-19/h2-14,30H,15H2,1H3
InChIKeyFWZWHACCRBSQFW-UHFFFAOYSA-N
MW480.35 g/mol
LogP6.78
Rot. Bonds6

About methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate

methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate (PubChem CID 3909909) has the molecular formula C26H19Cl2NO4 and a molecular weight of 480.35 g/mol. Its IUPAC name is methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate
PubChem CID3909909
Molecular FormulaC26H19Cl2NO4
Molecular Weight480.35 g/mol
Exact Mass479.07
IUPAC Namemethyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(C=Cc3ccc4c(Cl)cc(Cl)c(O)c4n3)cc2)cc1
InChIInChI=1S/C26H19Cl2NO4/c1-32-26(31)18-7-2-17(3-8-18)15-33-20-11-5-16(6-12-20)4-9-19-10-13-21-22(27)14-23(28)25(30)24(21)29-19/h2-14,30H,15H2,1H3
InChIKeyFWZWHACCRBSQFW-UHFFFAOYSA-N
XLogP6.78
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.35
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate with MolForge

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Related Compounds

5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol
CID 71450723
5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol
CID 6187033
5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol
CID 7946483
4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid
CID 3314466
5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol
CID 7946493
methyl 4-[[4-(3-hydroxyiminobut-1-enyl)phenoxy]methyl]benzoate
CID 2880177
methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[[5-[2-(3,4-dichlorophenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepin-8-yl]oxymethyl]benzoate
CID 85332189
methyl 4-[[4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 7947254

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate (CID 3909909) is methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(C=Cc3ccc4c(Cl)cc(Cl)c(O)c4n3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate?
The InChIKey is FWZWHACCRBSQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2NO4/c1-32-26(31)18-7-2-17(3-8-18)15-33-20-11-5-16(6-12-20)4-9-19-10-13-21-22(27)14-23(28)25(30)24(21)29-19/h2-14,30H,15H2,1H3.
What are the key properties of methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate?
methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate has a molecular weight of 480.35 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate is sourced from PubChem (CID 3909909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).