N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide

C16H14FN3O — CID 90791739

IUPACN'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide
SMILESO=C(NNc1ccc(F)cc1)N1C=Cc2ccccc2C1
InChIInChI=1S/C16H14FN3O/c17-14-5-7-15(8-6-14)18-19-16(21)20-10-9-12-3-1-2-4-13(12)11-20/h1-10,18H,11H2,(H,19,21)
InChIKeyFJVNGCKEHJYHIS-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.35
Rot. Bonds2

About N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide

N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide (PubChem CID 90791739) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide
PubChem CID90791739
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide
SMILESO=C(NNc1ccc(F)cc1)N1C=Cc2ccccc2C1
InChIInChI=1S/C16H14FN3O/c17-14-5-7-15(8-6-14)18-19-16(21)20-10-9-12-3-1-2-4-13(12)11-20/h1-10,18H,11H2,(H,19,21)
InChIKeyFJVNGCKEHJYHIS-UHFFFAOYSA-N
XLogP3.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide (CID 90791739) is N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide is O=C(NNc1ccc(F)cc1)N1C=Cc2ccccc2C1.
What is the InChIKey of N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide?
The InChIKey is FJVNGCKEHJYHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-5-7-15(8-6-14)18-19-16(21)20-10-9-12-3-1-2-4-13(12)11-20/h1-10,18H,11H2,(H,19,21).
What are the key properties of N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide?
N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide has a molecular weight of 283.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-1H-isoquinoline-2-carbohydrazide is sourced from PubChem (CID 90791739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).