8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide

C18H14FN3O4 — CID 137224958

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

About 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide

8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 137224958) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID137224958
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)c(O)c1
InChIInChI=1S/C18H14FN3O4/c1-26-11-6-5-10(15(23)7-11)8-21-22-18(25)13-9-20-16-12(17(13)24)3-2-4-14(16)19/h2-9,23H,1H3,(H,20,24)(H,22,25)/b21-8+
InChIKeyRACDKOKMTOMWDS-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': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (CID 137224958) is 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)c(O)c1.
What is the InChIKey of 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is RACDKOKMTOMWDS-ODCIPOBUSA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-26-11-6-5-10(15(23)7-11)8-21-22-18(25)13-9-20-16-12(17(13)24)3-2-4-14(16)19/h2-9,23H,1H3,(H,20,24)(H,22,25)/b21-8+.
What are the key properties of 8-fluoro-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
8-fluoro-N-[(E)-(2-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)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 137224958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).