methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate

C19H15FN2O3 — CID 60561393

IUPACmethyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/OCc2ccc(F)c3cccnc23)cc1
InChIInChI=1S/C19H15FN2O3/c1-24-19(23)14-6-4-13(5-7-14)11-22-25-12-15-8-9-17(20)16-3-2-10-21-18(15)16/h2-11H,12H2,1H3/b22-11+
InChIKeyBJSLCJXKZFEXAP-SSDVNMTOSA-N
MW338.34 g/mol
LogP3.71
Rot. Bonds5

About methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate

methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate (PubChem CID 60561393) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate
PubChem CID60561393
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Namemethyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/OCc2ccc(F)c3cccnc23)cc1
InChIInChI=1S/C19H15FN2O3/c1-24-19(23)14-6-4-13(5-7-14)11-22-25-12-15-8-9-17(20)16-3-2-10-21-18(15)16/h2-11H,12H2,1H3/b22-11+
InChIKeyBJSLCJXKZFEXAP-SSDVNMTOSA-N
XLogP3.71
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(E)-(2-chlorophenyl)methoxyiminomethyl]benzoate
CID 6905476
4-(difluoromethoxy)-N'-[(5-fluoroquinolin-8-yl)methoxy]-3-methoxybenzenecarboximidamide
CID 60561738
(E)-3-[4-[(E)-(4-methoxycarbonylphenyl)methoxyiminomethyl]phenyl]prop-2-enoic acid
CID 87528511
methyl 4-[[2-(2,5-difluoroanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 2109757
methyl 4-[(E)-(4-cyanophenyl)methoxyiminomethyl]benzoate
CID 6905546
(5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate
CID 55649038
(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55648920
[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol
CID 110889549
ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate
CID 62013386
methyl 4-(dipyridin-2-ylmethyliminomethyl)benzoate
CID 101197781
methyl 4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoate
CID 5400623
methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate
CID 168531338

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate?
The IUPAC name of methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate (CID 60561393) is methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate?
The canonical SMILES for methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate is COC(=O)c1ccc(/C=N/OCc2ccc(F)c3cccnc23)cc1.
What is the InChIKey of methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate?
The InChIKey is BJSLCJXKZFEXAP-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-24-19(23)14-6-4-13(5-7-14)11-22-25-12-15-8-9-17(20)16-3-2-10-21-18(15)16/h2-11H,12H2,1H3/b22-11+.
What are the key properties of methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate?
methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate has a molecular weight of 338.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate is sourced from PubChem (CID 60561393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).