methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate

C18H14FNO4 — CID 90209622

IUPACmethyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(\OC)c1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-23-16(10-3-6-12(19)7-4-10)15-13-8-5-11(18(22)24-2)9-14(13)20-17(15)21/h3-9H,1-2H3,(H,20,21)/b16-15-
InChIKeyWIPIBZGYAODWRG-NXVVXOECSA-N
MW327.31 g/mol
LogP3.08
Rot. Bonds3

About methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate

methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate (PubChem CID 90209622) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate
PubChem CID90209622
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Namemethyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(\OC)c1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-23-16(10-3-6-12(19)7-4-10)15-13-8-5-11(18(22)24-2)9-14(13)20-17(15)21/h3-9H,1-2H3,(H,20,21)/b16-15-
InChIKeyWIPIBZGYAODWRG-NXVVXOECSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methyl (3Z)-3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 90209517
acetyl 3-[methoxy(phenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 126506600
3-(1-methoxyethylidene)-2-oxo-1H-indole-6-carboxamide
CID 68531241
methyl (3E)-3-[(2,6-dimethoxyphenyl)methylidene]-2-oxo-1H-indole-6-carboxylate
CID 58662761
CID 170307924
CID 170307924
methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate
CID 59474018
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
methyl 2-oxo-3-[[2-(trifluoromethyl)phenyl]methylidene]-1H-indole-6-carboxylate
CID 73018720
methyl 6,11,11-trioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 13013925
5-(2-fluoro-6-methoxyphenyl)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one
CID 146462155
methyl 6,11-dioxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 23464484
methyl 6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carboxylate
CID 13013924

Frequently Asked Questions

What is the IUPAC name of methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate?
The IUPAC name of methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate (CID 90209622) is methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate.
What is the SMILES notation for methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate?
The canonical SMILES for methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\OC)c1ccc(F)cc1.
What is the InChIKey of methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate?
The InChIKey is WIPIBZGYAODWRG-NXVVXOECSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-23-16(10-3-6-12(19)7-4-10)15-13-8-5-11(18(22)24-2)9-14(13)20-17(15)21/h3-9H,1-2H3,(H,20,21)/b16-15-.
What are the key properties of methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate?
methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate has a molecular weight of 327.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate is sourced from PubChem (CID 90209622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).