(5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine

C12H11BrClN3 — CID 63358069

IUPAC(5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine
SMILESNNc1cc(C2CC2)nc2c(Cl)ccc(Br)c12
InChIInChI=1S/C12H11BrClN3/c13-7-3-4-8(14)12-11(7)10(17-15)5-9(16-12)6-1-2-6/h3-6H,1-2,15H2,(H,16,17)
InChIKeyWBCFHUQLAGPZKS-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.81
Rot. Bonds2

About (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine

(5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine (PubChem CID 63358069) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine
PubChem CID63358069
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name(5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine
SMILESNNc1cc(C2CC2)nc2c(Cl)ccc(Br)c12
InChIInChI=1S/C12H11BrClN3/c13-7-3-4-8(14)12-11(7)10(17-15)5-9(16-12)6-1-2-6/h3-6H,1-2,15H2,(H,16,17)
InChIKeyWBCFHUQLAGPZKS-UHFFFAOYSA-N
XLogP3.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine?
The IUPAC name of (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine (CID 63358069) is (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine?
The canonical SMILES for (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine is NNc1cc(C2CC2)nc2c(Cl)ccc(Br)c12.
What is the InChIKey of (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine?
The InChIKey is WBCFHUQLAGPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c13-7-3-4-8(14)12-11(7)10(17-15)5-9(16-12)6-1-2-6/h3-6H,1-2,15H2,(H,16,17).
What are the key properties of (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine?
(5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine has a molecular weight of 312.60 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-8-chloro-2-cyclopropylquinolin-4-yl)hydrazine is sourced from PubChem (CID 63358069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).