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

C15H10FN3O2S — CID 127048344

IUPAC8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C15H10FN3O2S/c16-12-5-1-4-10-13(12)17-8-11(14(10)20)15(21)19-18-7-9-3-2-6-22-9/h1-8H,(H,17,20)(H,19,21)/b18-7+
InChIKeyJNFQKKPHDNYFMO-CNHKJKLMSA-N
MW315.33 g/mol
LogP2.49
Rot. Bonds3

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

8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide (PubChem CID 127048344) has the molecular formula C15H10FN3O2S and a molecular weight of 315.33 g/mol. Its IUPAC name is 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide
PubChem CID127048344
Molecular FormulaC15H10FN3O2S
Molecular Weight315.33 g/mol
Exact Mass315.05
IUPAC Name8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C15H10FN3O2S/c16-12-5-1-4-10-13(12)17-8-11(14(10)20)15(21)19-18-7-9-3-2-6-22-9/h1-8H,(H,17,20)(H,19,21)/b18-7+
InChIKeyJNFQKKPHDNYFMO-CNHKJKLMSA-N
XLogP2.49
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
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

8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127051489
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
8-fluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127048694
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 127052440
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
1-methyl-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-3-carboxamide
CID 162513707
1-methyl-4-oxo-N-(thiophen-2-ylmethylideneamino)quinoline-3-carboxamide
CID 175202707
3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 51052517
2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
CID 1484943
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide (CID 127048344) is 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide is O=C(N/N=C/c1cccs1)c1c[nH]c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide?
The InChIKey is JNFQKKPHDNYFMO-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H10FN3O2S/c16-12-5-1-4-10-13(12)17-8-11(14(10)20)15(21)19-18-7-9-3-2-6-22-9/h1-8H,(H,17,20)(H,19,21)/b18-7+.
What are the key properties of 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide?
8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 127048344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).