4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide

C17H13FN4O2 — CID 39849188

IUPAC4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide
SMILESNc1c(C(=O)NNC(=O)c2ccccc2F)cnc2ccccc12
InChIInChI=1S/C17H13FN4O2/c18-13-7-3-1-5-10(13)16(23)21-22-17(24)12-9-20-14-8-4-2-6-11(14)15(12)19/h1-9H,(H2,19,20)(H,21,23)(H,22,24)
InChIKeyJBQFEYDHIWSLRX-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.03
Rot. Bonds2

About 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide

4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide (PubChem CID 39849188) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide
PubChem CID39849188
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide
SMILESNc1c(C(=O)NNC(=O)c2ccccc2F)cnc2ccccc12
InChIInChI=1S/C17H13FN4O2/c18-13-7-3-1-5-10(13)16(23)21-22-17(24)12-9-20-14-8-4-2-6-11(14)15(12)19/h1-9H,(H2,19,20)(H,21,23)(H,22,24)
InChIKeyJBQFEYDHIWSLRX-UHFFFAOYSA-N
XLogP2.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N'-(2-fluorobenzoyl)quinoline-3-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 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide?
The IUPAC name of 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide (CID 39849188) is 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide.
What is the SMILES notation for 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide?
The canonical SMILES for 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide is Nc1c(C(=O)NNC(=O)c2ccccc2F)cnc2ccccc12.
What is the InChIKey of 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide?
The InChIKey is JBQFEYDHIWSLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-13-7-3-1-5-10(13)16(23)21-22-17(24)12-9-20-14-8-4-2-6-11(14)15(12)19/h1-9H,(H2,19,20)(H,21,23)(H,22,24).
What are the key properties of 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide?
4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide has a molecular weight of 324.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide is sourced from PubChem (CID 39849188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).