1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine

C22H17N5O3 — CID 88977494

IUPAC1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine
SMILESNN(c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccc2cccnc2c1N=O
InChIInChI=1S/C22H17N5O3/c23-26(17-9-11-18(12-10-17)27(29)30)22(16-5-2-1-3-6-16)19-13-8-15-7-4-14-24-20(15)21(19)25-28/h1-14,22H,23H2
InChIKeyBOPKAYTWMYDOJO-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.01
Rot. Bonds6

About 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine

1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine (PubChem CID 88977494) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine
PubChem CID88977494
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine
SMILESNN(c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccc2cccnc2c1N=O
InChIInChI=1S/C22H17N5O3/c23-26(17-9-11-18(12-10-17)27(29)30)22(16-5-2-1-3-6-16)19-13-8-15-7-4-14-24-20(15)21(19)25-28/h1-14,22H,23H2
InChIKeyBOPKAYTWMYDOJO-UHFFFAOYSA-N
XLogP5.01
TPSA114.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-nitro-7-[nitroso(phenyl)methyl]quinoline
CID 126516699
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
CID 10509772
7-iodo-8-nitroquinoline
CID 133062974
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
7-[amino(phenyl)methyl]quinolin-8-amine
CID 174698736
7-nitroquinolin-8-amine
CID 12663942
7-methyl-8-nitrosoquinoline
CID 88866337
7-[(R)-[(3-hydroxypyridin-1-ium-2-yl)amino]-(4-nitrophenyl)methyl]quinolin-8-ol
CID 7808519
6,8-dinitroquinoline
CID 11106850
4-nitro-2-(quinolin-8-yliminomethyl)phenolate
CID 2223529
1-methyl-1-[(4-nitrophenyl)-phenylmethyl]-2,2-diphenylhydrazine
CID 160842262

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine?
The IUPAC name of 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine (CID 88977494) is 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine.
What is the SMILES notation for 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine?
The canonical SMILES for 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine is NN(c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccc2cccnc2c1N=O.
What is the InChIKey of 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine?
The InChIKey is BOPKAYTWMYDOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c23-26(17-9-11-18(12-10-17)27(29)30)22(16-5-2-1-3-6-16)19-13-8-15-7-4-14-24-20(15)21(19)25-28/h1-14,22H,23H2.
What are the key properties of 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine?
1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine has a molecular weight of 399.41 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine is sourced from PubChem (CID 88977494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).