N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide

C17H11ClFN3O2 — CID 35065860

IUPACN'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1F)c1ccc2ccccc2n1
InChIInChI=1S/C17H11ClFN3O2/c18-11-6-7-13(19)12(9-11)16(23)21-22-17(24)15-8-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,21,23)(H,22,24)
InChIKeyIYJHBYLMVREIFX-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.10
Rot. Bonds2

About N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide

N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide (PubChem CID 35065860) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
PubChem CID35065860
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC NameN'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)ccc1F)c1ccc2ccccc2n1
InChIInChI=1S/C17H11ClFN3O2/c18-11-6-7-13(19)12(9-11)16(23)21-22-17(24)15-8-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,21,23)(H,22,24)
InChIKeyIYJHBYLMVREIFX-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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065853
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide
CID 2688154
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9468669
N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide
CID 55468262
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide (CID 35065860) is N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide is O=C(NNC(=O)c1cc(Cl)ccc1F)c1ccc2ccccc2n1.
What is the InChIKey of N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide?
The InChIKey is IYJHBYLMVREIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-11-6-7-13(19)12(9-11)16(23)21-22-17(24)15-8-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,21,23)(H,22,24).
What are the key properties of N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide?
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-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 N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 35065860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).