N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide

C15H10N4O4S — CID 35067362

IUPACN'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2ccccc2n1
InChIInChI=1S/C15H10N4O4S/c20-14(11-6-5-9-3-1-2-4-10(9)16-11)17-18-15(21)12-7-8-13(24-12)19(22)23/h1-8H,(H,17,20)(H,18,21)
InChIKeyWEQSVOKYKNSJGO-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.28
Rot. Bonds3

About N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide

N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide (PubChem CID 35067362) has the molecular formula C15H10N4O4S and a molecular weight of 342.34 g/mol. Its IUPAC name is N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide
PubChem CID35067362
Molecular FormulaC15H10N4O4S
Molecular Weight342.34 g/mol
Exact Mass342.04
IUPAC NameN'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2ccccc2n1
InChIInChI=1S/C15H10N4O4S/c20-14(11-6-5-9-3-1-2-4-10(9)16-11)17-18-15(21)12-7-8-13(24-12)19(22)23/h1-8H,(H,17,20)(H,18,21)
InChIKeyWEQSVOKYKNSJGO-UHFFFAOYSA-N
XLogP2.28
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide (CID 35067362) is N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2ccccc2n1.
What is the InChIKey of N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide?
The InChIKey is WEQSVOKYKNSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4S/c20-14(11-6-5-9-3-1-2-4-10(9)16-11)17-18-15(21)12-7-8-13(24-12)19(22)23/h1-8H,(H,17,20)(H,18,21).
What are the key properties of N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide?
N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide has a molecular weight of 342.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 35067362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).