8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide

C18H14FN3O4 — CID 127048343

IUPAC8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1O
InChIInChI=1S/C18H14FN3O4/c1-26-15-6-5-10(7-14(15)23)8-21-22-18(25)12-9-20-16-11(17(12)24)3-2-4-13(16)19/h2-9,23H,1H3,(H,20,24)(H,22,25)/b21-8+
InChIKeyLAFURLKZWBZIJF-ODCIPOBUSA-N
MW355.33 g/mol
LogP2.15
Rot. Bonds4

About 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide

8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 127048343) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID127048343
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1O
InChIInChI=1S/C18H14FN3O4/c1-26-15-6-5-10(7-14(15)23)8-21-22-18(25)12-9-20-16-11(17(12)24)3-2-4-13(16)19/h2-9,23H,1H3,(H,20,24)(H,22,25)/b21-8+
InChIKeyLAFURLKZWBZIJF-ODCIPOBUSA-N
XLogP2.15
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
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

N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135478328
N-(2-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)-4-methoxybenzamide
CID 135510994
N-(3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135693604
N-(4-{[2-(3-hydroxy-4-methoxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875720
N-(4-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418716
8-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 136094794
8-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 136094795
8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 137224958
8-fluoro-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 137224959
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 137225017
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 137225018
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 137225050

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (CID 127048343) is 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1O.
What is the InChIKey of 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LAFURLKZWBZIJF-ODCIPOBUSA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-26-15-6-5-10(7-14(15)23)8-21-22-18(25)12-9-20-16-11(17(12)24)3-2-4-13(16)19/h2-9,23H,1H3,(H,20,24)(H,22,25)/b21-8+.
What are the key properties of 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 355.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 127048343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).