(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine

C16H16N8O4 — CID 135411622

IUPAC(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine
SMILESNc1nonc1/C(=N/O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C16H16N8O4/c17-15-14(20-28-21-15)16(19-25)23-8-6-22(7-9-23)12-4-3-11(24(26)27)10-2-1-5-18-13(10)12/h1-5,25H,6-9H2,(H2,17,21)/b19-16-
InChIKeyRPIDSAKJSSPTIR-MNDPQUGUSA-N
MW384.36 g/mol
LogP1.07
Rot. Bonds3

About (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine

(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine (PubChem CID 135411622) has the molecular formula C16H16N8O4 and a molecular weight of 384.36 g/mol. Its IUPAC name is (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine
PubChem CID135411622
Molecular FormulaC16H16N8O4
Molecular Weight384.36 g/mol
Exact Mass384.13
IUPAC Name(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine
SMILESNc1nonc1/C(=N/O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C16H16N8O4/c17-15-14(20-28-21-15)16(19-25)23-8-6-22(7-9-23)12-4-3-11(24(26)27)10-2-1-5-18-13(10)12/h1-5,25H,6-9H2,(H2,17,21)/b19-16-
InChIKeyRPIDSAKJSSPTIR-MNDPQUGUSA-N
XLogP1.07
TPSA160.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 2866417
(3,4-dimethoxyphenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 31662357
5-nitro-8-(4-pyridin-2-ylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
CID 46238557
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
4-(5-nitroquinolin-8-yl)piperazin-2-one
CID 46850818
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]methylidene]hydroxylamine
CID 135641491
(NE)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R)-4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]methylidene]hydroxylamine
CID 135938349
N-[(2S)-butan-2-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]acetamide
CID 25332109

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine (CID 135411622) is (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine is Nc1nonc1/C(=N/O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1.
What is the InChIKey of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine?
The InChIKey is RPIDSAKJSSPTIR-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H16N8O4/c17-15-14(20-28-21-15)16(19-25)23-8-6-22(7-9-23)12-4-3-11(24(26)27)10-2-1-5-18-13(10)12/h1-5,25H,6-9H2,(H2,17,21)/b19-16-.
What are the key properties of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine?
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine has a molecular weight of 384.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135411622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).