1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine

C20H15N7O5 — CID 23493958

IUPAC1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine
SMILESCc1ccc2cccc(Oc3ncnc(NNc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C20H15N7O5/c1-12-5-6-13-3-2-4-16(17(13)23-12)32-20-18(27(30)31)19(21-11-22-20)25-24-14-7-9-15(10-8-14)26(28)29/h2-11,24H,1H3,(H,21,22,25)
InChIKeyDZEYXMZWKARABC-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.38
Rot. Bonds7

About 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine

1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine (PubChem CID 23493958) has the molecular formula C20H15N7O5 and a molecular weight of 433.38 g/mol. Its IUPAC name is 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine
PubChem CID23493958
Molecular FormulaC20H15N7O5
Molecular Weight433.38 g/mol
Exact Mass433.11
IUPAC Name1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine
SMILESCc1ccc2cccc(Oc3ncnc(NNc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C20H15N7O5/c1-12-5-6-13-3-2-4-16(17(13)23-12)32-20-18(27(30)31)19(21-11-22-20)25-24-14-7-9-15(10-8-14)26(28)29/h2-11,24H,1H3,(H,21,22,25)
InChIKeyDZEYXMZWKARABC-UHFFFAOYSA-N
XLogP4.38
TPSA158.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine
CID 23493985
N-[4-[[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 23494060
1,1-dimethyl-2-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]hydrazine
CID 23493967
N-(3-bromophenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23494053
N-(5-chloro-2-pyridinyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine
CID 23493980
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
CID 23479881
1-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine
CID 23479186
6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481270
8-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline
CID 23494057
2-methyl-8-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]oxyquinoline
CID 23490631
N-(3,5-dimethylphenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23479406
N-(4-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493830

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine?
The IUPAC name of 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine (CID 23493958) is 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine.
What is the SMILES notation for 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine?
The canonical SMILES for 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine is Cc1ccc2cccc(Oc3ncnc(NNc4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])c2n1.
What is the InChIKey of 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine?
The InChIKey is DZEYXMZWKARABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O5/c1-12-5-6-13-3-2-4-16(17(13)23-12)32-20-18(27(30)31)19(21-11-22-20)25-24-14-7-9-15(10-8-14)26(28)29/h2-11,24H,1H3,(H,21,22,25).
What are the key properties of 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine?
1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine has a molecular weight of 433.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine is sourced from PubChem (CID 23493958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).