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

C17H11F2N3O2 — CID 127052404

IUPAC8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1F)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C17H11F2N3O2/c18-13-6-2-1-4-10(13)8-21-22-17(24)12-9-20-15-11(16(12)23)5-3-7-14(15)19/h1-9H,(H,20,23)(H,22,24)/b21-8+
InChIKeyBZPNOINSAZDIKY-ODCIPOBUSA-N
MW327.29 g/mol
LogP2.57
Rot. Bonds3

About 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide

8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 127052404) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID127052404
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1F)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C17H11F2N3O2/c18-13-6-2-1-4-10(13)8-21-22-17(24)12-9-20-15-11(16(12)23)5-3-7-14(15)19/h1-9H,(H,20,23)(H,22,24)/b21-8+
InChIKeyBZPNOINSAZDIKY-ODCIPOBUSA-N
XLogP2.57
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.57
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

8-Fluoro-4-hydroxy-quinoline-3-carboxylic acid phenethyl-amide
CID 24746889
6-Fluoro-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 24747005
7-Fluoro-1-(4-methylbenzyl)-4-oxo-1,4-dihydro-3-quinolinecarbohydrazide
CID 1476774
6,8-difluoro-3-(4-methylbenzoyl)quinolin-4(1H)-one
CID 12004428
1-cyclopropyl-6-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]-7-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
CID 155513776
1-ethyl-6-fluoro-N'-[1-(4-fluorophenyl)ethylidene]-4-oxo-7-(1-pyrrolidinyl)-1,4-dihydro-3-quinolinecarbohydrazide
CID 6859721
6-Fluoro-4-hydroxy-quinoline-3-carboxylic acid phenethyl-amide
CID 3217692
8-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 136094794
N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155563806
1-ethyl-6-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156012813
N-[(E)-benzylideneamino]-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156018873
4-Hydroxy-8-(Trifluoromethyl)-3-Quinolinecarbohydrazide
CID 43826486

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide (CID 127052404) is 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is O=C(N/N=C/c1ccccc1F)c1c[nH]c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BZPNOINSAZDIKY-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-13-6-2-1-4-10(13)8-21-22-17(24)12-9-20-15-11(16(12)23)5-3-7-14(15)19/h1-9H,(H,20,23)(H,22,24)/b21-8+.
What are the key properties of 8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide?
8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 327.29 g/mol, XLogP of 2.57, 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)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 127052404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).