2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide

C16H15N3OS — CID 25218964

IUPAC2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide
SMILESCCc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)s1
InChIInChI=1S/C16H15N3OS/c1-2-10-7-8-15(21-10)14-9-12(16(20)19-17)11-5-3-4-6-13(11)18-14/h3-9H,2,17H2,1H3,(H,19,20)
InChIKeyZWQYBAYZAOQRBX-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.13
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide

2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide (PubChem CID 25218964) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide
PubChem CID25218964
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide
SMILESCCc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)s1
InChIInChI=1S/C16H15N3OS/c1-2-10-7-8-15(21-10)14-9-12(16(20)19-17)11-5-3-4-6-13(11)18-14/h3-9H,2,17H2,1H3,(H,19,20)
InChIKeyZWQYBAYZAOQRBX-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.13
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

N-(1,3-benzodioxol-5-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
CID 1261575
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 4137703
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 5097101
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
2-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)quinoline-4-carboxamide
CID 4198471
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
ethyl 4-[[2-(5-bromothiophen-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 22427756
2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
CID 15996066

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide (CID 25218964) is 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide is CCc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide?
The InChIKey is ZWQYBAYZAOQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-10-7-8-15(21-10)14-9-12(16(20)19-17)11-5-3-4-6-13(11)18-14/h3-9H,2,17H2,1H3,(H,19,20).
What are the key properties of 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide?
2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide has a molecular weight of 297.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide is sourced from PubChem (CID 25218964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).