N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H16FN3O3 — CID 54684843

IUPACN-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NN=Cc1ccccc1F)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H16FN3O3/c18-12-7-3-1-5-10(12)9-19-21-17(24)14-15(22)11-6-2-4-8-13(11)20-16(14)23/h1,3,5,7,9H,2,4,6,8H2,(H,21,24)(H2,20,22,23)
InChIKeyNMYRUJQOBMSLHD-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.86
Rot. Bonds3

About N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54684843) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54684843
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NN=Cc1ccccc1F)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H16FN3O3/c18-12-7-3-1-5-10(12)9-19-21-17(24)14-15(22)11-6-2-4-8-13(11)20-16(14)23/h1,3,5,7,9H,2,4,6,8H2,(H,21,24)(H2,20,22,23)
InChIKeyNMYRUJQOBMSLHD-UHFFFAOYSA-N
XLogP1.86
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.86
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-[(3-bromophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54683992
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54725735
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54706028
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54706358
4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54684650
N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 5333882
N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 44724108
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54684843) is N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NN=Cc1ccccc1F)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NMYRUJQOBMSLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-12-7-3-1-5-10(12)9-19-21-17(24)14-15(22)11-6-2-4-8-13(11)20-16(14)23/h1,3,5,7,9H,2,4,6,8H2,(H,21,24)(H2,20,22,23).
What are the key properties of N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54684843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).