N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide

C16H9F4N3O — CID 2688154

IUPACN'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide
SMILESO=C(NNc1c(F)c(F)cc(F)c1F)c1ccc2ccccc2n1
InChIInChI=1S/C16H9F4N3O/c17-9-7-10(18)14(20)15(13(9)19)22-23-16(24)12-6-5-8-3-1-2-4-11(8)21-12/h1-7,22H,(H,23,24)
InChIKeyYZFDSRVARFKWSM-UHFFFAOYSA-N
MW335.26 g/mol
LogP3.55
Rot. Bonds3

About N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide

N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide (PubChem CID 2688154) has the molecular formula C16H9F4N3O and a molecular weight of 335.26 g/mol. Its IUPAC name is N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide
PubChem CID2688154
Molecular FormulaC16H9F4N3O
Molecular Weight335.26 g/mol
Exact Mass335.07
IUPAC NameN'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide
SMILESO=C(NNc1c(F)c(F)cc(F)c1F)c1ccc2ccccc2n1
InChIInChI=1S/C16H9F4N3O/c17-9-7-10(18)14(20)15(13(9)19)22-23-16(24)12-6-5-8-3-1-2-4-11(8)21-12/h1-7,22H,(H,23,24)
InChIKeyYZFDSRVARFKWSM-UHFFFAOYSA-N
XLogP3.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065853
1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9468669
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N'-(quinoline-2-carbonyl)-1,3-oxazole-4-carbohydrazide
CID 166194916
N'-butanoylquinoline-2-carbohydrazide
CID 29266790

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide (CID 2688154) is N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide is O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc2ccccc2n1.
What is the InChIKey of N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide?
The InChIKey is YZFDSRVARFKWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O/c17-9-7-10(18)14(20)15(13(9)19)22-23-16(24)12-6-5-8-3-1-2-4-11(8)21-12/h1-7,22H,(H,23,24).
What are the key properties of N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide?
N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide has a molecular weight of 335.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 2688154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).