2-thiophen-2-ylquinoline-4-carbohydrazide

C14H11N3OS — CID 5102481

IUPAC2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C14H11N3OS/c15-17-14(18)10-8-12(13-6-3-7-19-13)16-11-5-2-1-4-9(10)11/h1-8H,15H2,(H,17,18)
InChIKeyRRFXBVGSSZEUCZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.57
Rot. Bonds2

About 2-thiophen-2-ylquinoline-4-carbohydrazide

2-thiophen-2-ylquinoline-4-carbohydrazide (PubChem CID 5102481) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-thiophen-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-thiophen-2-ylquinoline-4-carbohydrazide
PubChem CID5102481
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C14H11N3OS/c15-17-14(18)10-8-12(13-6-3-7-19-13)16-11-5-2-1-4-9(10)11/h1-8H,15H2,(H,17,18)
InChIKeyRRFXBVGSSZEUCZ-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylquinoline-4-carbohydrazide?
The IUPAC name of 2-thiophen-2-ylquinoline-4-carbohydrazide (CID 5102481) is 2-thiophen-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for 2-thiophen-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for 2-thiophen-2-ylquinoline-4-carbohydrazide is NNC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 2-thiophen-2-ylquinoline-4-carbohydrazide?
The InChIKey is RRFXBVGSSZEUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-17-14(18)10-8-12(13-6-3-7-19-13)16-11-5-2-1-4-9(10)11/h1-8H,15H2,(H,17,18).
What are the key properties of 2-thiophen-2-ylquinoline-4-carbohydrazide?
2-thiophen-2-ylquinoline-4-carbohydrazide has a molecular weight of 269.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 5102481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).