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

C18H14FN3O2 — CID 127051489

IUPAC8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1
InChIInChI=1S/C18H14FN3O2/c1-11-5-7-12(8-6-11)9-21-22-18(24)14-10-20-16-13(17(14)23)3-2-4-15(16)19/h2-10H,1H3,(H,20,23)(H,22,24)/b21-9+
InChIKeyGDOATFDJKHAQKN-ZVBGSRNCSA-N
MW323.33 g/mol
LogP2.74
Rot. Bonds3

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

8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 127051489) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID127051489
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1
InChIInChI=1S/C18H14FN3O2/c1-11-5-7-12(8-6-11)9-21-22-18(24)14-10-20-16-13(17(14)23)3-2-4-15(16)19/h2-10H,1H3,(H,20,23)(H,22,24)/b21-9+
InChIKeyGDOATFDJKHAQKN-ZVBGSRNCSA-N
XLogP2.74
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 127052440
8-fluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127048694
8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide
CID 127048344
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 176514152
N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide
CID 57395656
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (CID 127051489) is 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is Cc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1.
What is the InChIKey of 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GDOATFDJKHAQKN-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-11-5-7-12(8-6-11)9-21-22-18(24)14-10-20-16-13(17(14)23)3-2-4-15(16)19/h2-10H,1H3,(H,20,23)(H,22,24)/b21-9+.
What are the key properties of 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 127051489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).