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

C17H12FN3O2 — CID 35063560

IUPACN'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(F)c1
InChIInChI=1S/C17H12FN3O2/c18-13-6-3-5-12(10-13)16(22)20-21-17(23)15-9-8-11-4-1-2-7-14(11)19-15/h1-10H,(H,20,22)(H,21,23)
InChIKeyRXAHFFPIFNOYAS-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.45
Rot. Bonds2

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

N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide (PubChem CID 35063560) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
PubChem CID35063560
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC NameN'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(F)c1
InChIInChI=1S/C17H12FN3O2/c18-13-6-3-5-12(10-13)16(22)20-21-17(23)15-9-8-11-4-1-2-7-14(11)19-15/h1-10H,(H,20,22)(H,21,23)
InChIKeyRXAHFFPIFNOYAS-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'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide
CID 35064242
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide
CID 35065087
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide
CID 2688154
N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065853
3-fluoro-N-(3-quinolin-2-ylphenyl)benzamide
CID 46376278
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9468669
3-fluoro-N'-sulfanylbenzohydrazide
CID 174650395
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide (CID 35063560) is N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide is O=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(F)c1.
What is the InChIKey of N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide?
The InChIKey is RXAHFFPIFNOYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-13-6-3-5-12(10-13)16(22)20-21-17(23)15-9-8-11-4-1-2-7-14(11)19-15/h1-10H,(H,20,22)(H,21,23).
What are the key properties of N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide?
N'-(3-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'-(3-fluorobenzoyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 35063560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).