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

C17H11BrFN3O2 — CID 35065853

IUPACN'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)cc1F)c1ccc2ccccc2n1
InChIInChI=1S/C17H11BrFN3O2/c18-11-6-7-12(13(19)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)
InChIKeyKZBCJLROJYZKDB-UHFFFAOYSA-N
MW388.20 g/mol
LogP3.21
Rot. Bonds2

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

N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide (PubChem CID 35065853) has the molecular formula C17H11BrFN3O2 and a molecular weight of 388.20 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
PubChem CID35065853
Molecular FormulaC17H11BrFN3O2
Molecular Weight388.20 g/mol
Exact Mass387.00
IUPAC NameN'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)cc1F)c1ccc2ccccc2n1
InChIInChI=1S/C17H11BrFN3O2/c18-11-6-7-12(13(19)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)
InChIKeyKZBCJLROJYZKDB-UHFFFAOYSA-N
XLogP3.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 53.21
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'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
1-(3-bromophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 26956955
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide
CID 36575242
N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide
CID 2688154
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide
CID 95164015
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide
CID 4787478
1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9468669
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide (CID 35065853) is N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide is O=C(NNC(=O)c1ccc(Br)cc1F)c1ccc2ccccc2n1.
What is the InChIKey of N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide?
The InChIKey is KZBCJLROJYZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O2/c18-11-6-7-12(13(19)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'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide?
N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide has a molecular weight of 388.20 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 35065853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).