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

C17H12FN3O2 — CID 7779547

IUPACN'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O2/c18-13-8-5-12(6-9-13)16(22)20-21-17(23)15-10-7-11-3-1-2-4-14(11)19-15/h1-10H,(H,20,22)(H,21,23)
InChIKeyRXQYXXUWKDWHGE-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.45
Rot. Bonds2

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

N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide (PubChem CID 7779547) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
PubChem CID7779547
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC NameN'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O2/c18-13-8-5-12(6-9-13)16(22)20-21-17(23)15-10-7-11-3-1-2-4-14(11)19-15/h1-10H,(H,20,22)(H,21,23)
InChIKeyRXQYXXUWKDWHGE-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.45
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'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
CID 29223067
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 35067665
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide
CID 35069128
N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide
CID 35064242
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N'-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]quinoline-2-carbohydrazide
CID 25465652
N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide
CID 2688154
N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065853

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide (CID 7779547) is N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide is O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide?
The InChIKey is RXQYXXUWKDWHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-13-8-5-12(6-9-13)16(22)20-21-17(23)15-10-7-11-3-1-2-4-14(11)19-15/h1-10H,(H,20,22)(H,21,23).
What are the key properties of N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide?
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide has a molecular weight of 309.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 7779547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).