(6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine

C15H11BrN4O2 — CID 4736395

IUPAC(6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine
SMILESNNc1nc2ccc(Br)cc2c(-c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H11BrN4O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(20(21)22)15(18-12)19-17/h1-8H,17H2,(H,18,19)
InChIKeyDHIHPWXJSWCGKE-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.86
Rot. Bonds3

About (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine

(6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine (PubChem CID 4736395) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine
PubChem CID4736395
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC Name(6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine
SMILESNNc1nc2ccc(Br)cc2c(-c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H11BrN4O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(20(21)22)15(18-12)19-17/h1-8H,17H2,(H,18,19)
InChIKeyDHIHPWXJSWCGKE-UHFFFAOYSA-N
XLogP3.86
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine?
The IUPAC name of (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine (CID 4736395) is (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine.
What is the SMILES notation for (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine?
The canonical SMILES for (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine is NNc1nc2ccc(Br)cc2c(-c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine?
The InChIKey is DHIHPWXJSWCGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(20(21)22)15(18-12)19-17/h1-8H,17H2,(H,18,19).
What are the key properties of (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine?
(6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine has a molecular weight of 359.18 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine is sourced from PubChem (CID 4736395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).