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

C17H12FN3O3 — CID 54723788

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H12FN3O3/c18-11-7-5-10(6-8-11)9-19-21-17(24)14-15(22)12-3-1-2-4-13(12)20-16(14)23/h1-9H,(H,21,24)(H2,20,22,23)/b19-9+
InChIKeyQURXCONTPLJOFG-DJKKODMXSA-N
MW325.30 g/mol
LogP2.14
Rot. Bonds3

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

N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54723788) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54723788
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H12FN3O3/c18-11-7-5-10(6-8-11)9-19-21-17(24)14-15(22)12-3-1-2-4-13(12)20-16(14)23/h1-9H,(H,21,24)(H2,20,22,23)/b19-9+
InChIKeyQURXCONTPLJOFG-DJKKODMXSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54723788) is N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(N/N=C/c1ccc(F)cc1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QURXCONTPLJOFG-DJKKODMXSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-11-7-5-10(6-8-11)9-19-21-17(24)14-15(22)12-3-1-2-4-13(12)20-16(14)23/h1-9H,(H,21,24)(H2,20,22,23)/b19-9+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-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 N-[(E)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54723788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).