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

C19H16FN3O4 — CID 127052440

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1OC
InChIInChI=1S/C19H16FN3O4/c1-26-15-7-6-11(8-16(15)27-2)9-22-23-19(25)13-10-21-17-12(18(13)24)4-3-5-14(17)20/h3-10H,1-2H3,(H,21,24)(H,23,25)/b22-9+
InChIKeyKELTZGOMOXHBBR-LSFURLLWSA-N
MW369.35 g/mol
LogP2.45
Rot. Bonds5

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

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 127052440) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID127052440
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1OC
InChIInChI=1S/C19H16FN3O4/c1-26-15-7-6-11(8-16(15)27-2)9-22-23-19(25)13-10-21-17-12(18(13)24)4-3-5-14(17)20/h3-10H,1-2H3,(H,21,24)(H,23,25)/b22-9+
InChIKeyKELTZGOMOXHBBR-LSFURLLWSA-N
XLogP2.45
TPSA92.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

8-fluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127048694
8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127051489
N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 51053181
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 4290172
[4-[[(7-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 126402556
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 127052440) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is KELTZGOMOXHBBR-LSFURLLWSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-26-15-7-6-11(8-16(15)27-2)9-22-23-19(25)13-10-21-17-12(18(13)24)4-3-5-14(17)20/h3-10H,1-2H3,(H,21,24)(H,23,25)/b22-9+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 127052440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).