2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide

C17H11ClFN3O2 — CID 24978768

IUPAC2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)nc2ccccc12)c1ccccc1F
InChIInChI=1S/C17H11ClFN3O2/c18-15-9-12(10-5-2-4-8-14(10)20-15)17(24)22-21-16(23)11-6-1-3-7-13(11)19/h1-9H,(H,21,23)(H,22,24)
InChIKeyWIOGTFBUACOWSE-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide

2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide (PubChem CID 24978768) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide
PubChem CID24978768
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)nc2ccccc12)c1ccccc1F
InChIInChI=1S/C17H11ClFN3O2/c18-15-9-12(10-5-2-4-8-14(10)20-15)17(24)22-21-16(23)11-6-1-3-7-13(11)19/h1-9H,(H,21,23)(H,22,24)
InChIKeyWIOGTFBUACOWSE-UHFFFAOYSA-N
XLogP3.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide (CID 24978768) is 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(Cl)nc2ccccc12)c1ccccc1F.
What is the InChIKey of 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide?
The InChIKey is WIOGTFBUACOWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-15-9-12(10-5-2-4-8-14(10)20-15)17(24)22-21-16(23)11-6-1-3-7-13(11)19/h1-9H,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide?
2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide has a molecular weight of 343.75 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-fluorobenzoyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 24978768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).