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

C17H12FN3O3 — CID 127051487

IUPAC8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C17H12FN3O3/c18-14-6-2-5-12-15(14)19-9-13(16(12)23)17(24)21-20-8-10-3-1-4-11(22)7-10/h1-9,22H,(H,19,23)(H,21,24)/b20-8+
InChIKeyYWEXMFVQOOGJIZ-DNTJNYDQSA-N
MW325.30 g/mol
LogP2.14
Rot. Bonds3

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

8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 127051487) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID127051487
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C17H12FN3O3/c18-14-6-2-5-12-15(14)19-9-13(16(12)23)17(24)21-20-8-10-3-1-4-11(22)7-10/h1-9,22H,(H,19,23)(H,21,24)/b20-8+
InChIKeyYWEXMFVQOOGJIZ-DNTJNYDQSA-N
XLogP2.14
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
6-chloro-N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 156011938
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
6-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 156018079
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)-(2,4-dihydroxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 137225049

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (CID 127051487) is 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is O=C(N/N=C/c1cccc(O)c1)c1c[nH]c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YWEXMFVQOOGJIZ-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-14-6-2-5-12-15(14)19-9-13(16(12)23)17(24)21-20-8-10-3-1-4-11(22)7-10/h1-9,22H,(H,19,23)(H,21,24)/b20-8+.
What are the key properties of 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 325.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 127051487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).