2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide

C16H13N3OS — CID 71592303

IUPAC2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(/C=C/c2cccs2)nc2ccccc12
InChIInChI=1S/C16H13N3OS/c17-19-16(20)14-10-11(7-8-12-4-3-9-21-12)18-15-6-2-1-5-13(14)15/h1-10H,17H2,(H,19,20)/b8-7+
InChIKeyPTAMKZYQHMMCRY-BQYQJAHWSA-N
MW295.37 g/mol
LogP3.07
Rot. Bonds3

About 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide

2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide (PubChem CID 71592303) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide
PubChem CID71592303
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(/C=C/c2cccs2)nc2ccccc12
InChIInChI=1S/C16H13N3OS/c17-19-16(20)14-10-11(7-8-12-4-3-9-21-12)18-15-6-2-1-5-13(14)15/h1-10H,17H2,(H,19,20)/b8-7+
InChIKeyPTAMKZYQHMMCRY-BQYQJAHWSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]ethenyl]quinoline-4-carbohydrazide
CID 71592416
N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776658
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
CID 6299494
N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide
CID 6882954
2-(2-methylpropyl)quinoline-4-carbohydrazide
CID 4167752
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
[2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone
CID 162395795
2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide
CID 25218964

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide (CID 71592303) is 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide is NNC(=O)c1cc(/C=C/c2cccs2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide?
The InChIKey is PTAMKZYQHMMCRY-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-19-16(20)14-10-11(7-8-12-4-3-9-21-12)18-15-6-2-1-5-13(14)15/h1-10H,17H2,(H,19,20)/b8-7+.
What are the key properties of 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide?
2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide has a molecular weight of 295.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-thiophen-2-ylethenyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 71592303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).