N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide

C18H14FN3O4 — CID 54687089

IUPACN'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide
SMILESCn1c(=O)c(C(=O)NNC(=O)c2ccccc2F)c(O)c2ccccc21
InChIInChI=1S/C18H14FN3O4/c1-22-13-9-5-3-7-11(13)15(23)14(18(22)26)17(25)21-20-16(24)10-6-2-4-8-12(10)19/h2-9,23H,1H3,(H,20,24)(H,21,25)
InChIKeyZWHZSZXFNBURQC-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.46
Rot. Bonds2

About N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide

N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide (PubChem CID 54687089) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide
PubChem CID54687089
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC NameN'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide
SMILESCn1c(=O)c(C(=O)NNC(=O)c2ccccc2F)c(O)c2ccccc21
InChIInChI=1S/C18H14FN3O4/c1-22-13-9-5-3-7-11(13)15(23)14(18(22)26)17(25)21-20-16(24)10-6-2-4-8-12(10)19/h2-9,23H,1H3,(H,20,24)(H,21,25)
InChIKeyZWHZSZXFNBURQC-UHFFFAOYSA-N
XLogP1.46
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide (CID 54687089) is N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide is Cn1c(=O)c(C(=O)NNC(=O)c2ccccc2F)c(O)c2ccccc21.
What is the InChIKey of N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide?
The InChIKey is ZWHZSZXFNBURQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-22-13-9-5-3-7-11(13)15(23)14(18(22)26)17(25)21-20-16(24)10-6-2-4-8-12(10)19/h2-9,23H,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide?
N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide has a molecular weight of 355.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide is sourced from PubChem (CID 54687089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).