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

C17H12FN3O4 — CID 137225049

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C17H12FN3O4/c18-13-3-1-2-11-15(13)19-8-12(16(11)24)17(25)21-20-7-9-4-5-10(22)6-14(9)23/h1-8,22-23H,(H,19,24)(H,21,25)/b20-7+
InChIKeyIQBDOSSGMOFZJC-IFRROFPPSA-N
MW341.30 g/mol
LogP1.84
Rot. Bonds3

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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 137225049) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID137225049
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C17H12FN3O4/c18-13-3-1-2-11-15(13)19-8-12(16(11)24)17(25)21-20-7-9-4-5-10(22)6-14(9)23/h1-8,22-23H,(H,19,24)(H,21,25)/b20-7+
InChIKeyIQBDOSSGMOFZJC-IFRROFPPSA-N
XLogP1.84
TPSA114.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 156015219
6-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 156016975
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
N-(3-{[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]carbonyl}phenyl)-2-fluorobenzamide
CID 135419954
8-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127048695

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 137225049) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1c[nH]c2c(F)cccc2c1=O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is IQBDOSSGMOFZJC-IFRROFPPSA-N. The full InChI is InChI=1S/C17H12FN3O4/c18-13-3-1-2-11-15(13)19-8-12(16(11)24)17(25)21-20-7-9-4-5-10(22)6-14(9)23/h1-8,22-23H,(H,19,24)(H,21,25)/b20-7+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 341.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 137225049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).