2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide

C20H13FN6O4 — CID 23493858

IUPAC2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C20H13FN6O4/c21-14-8-2-1-7-13(14)19(28)26-25-18-17(27(29)30)20(24-11-23-18)31-15-9-3-5-12-6-4-10-22-16(12)15/h1-11H,(H,26,28)(H,23,24,25)
InChIKeyPBMXKZLUHHERLO-UHFFFAOYSA-N
MW420.36 g/mol
LogP3.62
Rot. Bonds6

About 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide

2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide (PubChem CID 23493858) has the molecular formula C20H13FN6O4 and a molecular weight of 420.36 g/mol. Its IUPAC name is 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
PubChem CID23493858
Molecular FormulaC20H13FN6O4
Molecular Weight420.36 g/mol
Exact Mass420.10
IUPAC Name2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C20H13FN6O4/c21-14-8-2-1-7-13(14)19(28)26-25-18-17(27(29)30)20(24-11-23-18)31-15-9-3-5-12-6-4-10-22-16(12)15/h1-11H,(H,26,28)(H,23,24,25)
InChIKeyPBMXKZLUHHERLO-UHFFFAOYSA-N
XLogP3.62
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493849
N'-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22535286
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22535771
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493822
N-(3,5-dimethylphenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23479406
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
CID 19141803
N-(4-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493830
N-benzhydryl-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493844
2-fluoro-N'-[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22527560
2,4-dichloro-N'-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)benzohydrazide
CID 23479972
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22535774

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide (CID 23493858) is 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide is O=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide?
The InChIKey is PBMXKZLUHHERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O4/c21-14-8-2-1-7-13(14)19(28)26-25-18-17(27(29)30)20(24-11-23-18)31-15-9-3-5-12-6-4-10-22-16(12)15/h1-11H,(H,26,28)(H,23,24,25).
What are the key properties of 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide?
2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide has a molecular weight of 420.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 23493858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).