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

C20H14N6O4 — CID 23493849

IUPACN'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C20H14N6O4/c27-19(14-6-2-1-3-7-14)25-24-18-17(26(28)29)20(23-12-22-18)30-15-10-4-8-13-9-5-11-21-16(13)15/h1-12H,(H,25,27)(H,22,23,24)
InChIKeyVUQDLZQQFITLAL-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.48
Rot. Bonds6

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

N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide (PubChem CID 23493849) has the molecular formula C20H14N6O4 and a molecular weight of 402.37 g/mol. Its IUPAC name is N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
PubChem CID23493849
Molecular FormulaC20H14N6O4
Molecular Weight402.37 g/mol
Exact Mass402.11
IUPAC NameN'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C20H14N6O4/c27-19(14-6-2-1-3-7-14)25-24-18-17(26(28)29)20(23-12-22-18)30-15-10-4-8-13-9-5-11-21-16(13)15/h1-12H,(H,25,27)(H,22,23,24)
InChIKeyVUQDLZQQFITLAL-UHFFFAOYSA-N
XLogP3.48
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.48
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

2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493858
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
N'-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536029
N-benzhydryl-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493844
N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide
CID 22535072
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'-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479243
N'-(5-nitro-6-phenoxypyrimidin-4-yl)pyridine-4-carbohydrazide
CID 22536554
N-(4-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493830
4-fluoro-N'-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535593
4-methyl-N'-[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22527264

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide?
The IUPAC name of N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide (CID 23493849) is N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide?
The canonical SMILES for N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide is O=C(NNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide?
The InChIKey is VUQDLZQQFITLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O4/c27-19(14-6-2-1-3-7-14)25-24-18-17(26(28)29)20(23-12-22-18)30-15-10-4-8-13-9-5-11-21-16(13)15/h1-12H,(H,25,27)(H,22,23,24).
What are the key properties of N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide?
N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide has a molecular weight of 402.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 23493849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).