N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide

C17H15N3O3 — CID 26021205

IUPACN'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc3ncccc23)c(C)o1
InChIInChI=1S/C17H15N3O3/c1-10-9-14(11(2)23-10)17(22)20-19-16(21)13-5-3-7-15-12(13)6-4-8-18-15/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyUFXITFOVIDFHJY-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.52
Rot. Bonds2

About N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide (PubChem CID 26021205) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
PubChem CID26021205
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc3ncccc23)c(C)o1
InChIInChI=1S/C17H15N3O3/c1-10-9-14(11(2)23-10)17(22)20-19-16(21)13-5-3-7-15-12(13)6-4-8-18-15/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyUFXITFOVIDFHJY-UHFFFAOYSA-N
XLogP2.52
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide (CID 26021205) is N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cccc3ncccc23)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide?
The InChIKey is UFXITFOVIDFHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-9-14(11(2)23-10)17(22)20-19-16(21)13-5-3-7-15-12(13)6-4-8-18-15/h3-9H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide has a molecular weight of 309.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide is sourced from PubChem (CID 26021205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).