(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine

C13H15BrClN3 — CID 63483898

IUPAC(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
SMILESCc1nc2c(Cl)ccc(Br)c2c(NN)c1C(C)C
InChIInChI=1S/C13H15BrClN3/c1-6(2)10-7(3)17-12-9(15)5-4-8(14)11(12)13(10)18-16/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyGOTPJZCPPXGKFF-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.37
Rot. Bonds2

About (5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine

(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine (PubChem CID 63483898) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is (5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
PubChem CID63483898
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
SMILESCc1nc2c(Cl)ccc(Br)c2c(NN)c1C(C)C
InChIInChI=1S/C13H15BrClN3/c1-6(2)10-7(3)17-12-9(15)5-4-8(14)11(12)13(10)18-16/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyGOTPJZCPPXGKFF-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.37
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-methyl-3-propan-2-ylquinolin-4-yl)hydrazine?
The IUPAC name of (5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine (CID 63483898) is (5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine?
The canonical SMILES for (5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine is Cc1nc2c(Cl)ccc(Br)c2c(NN)c1C(C)C.
What is the InChIKey of (5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine?
The InChIKey is GOTPJZCPPXGKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-6(2)10-7(3)17-12-9(15)5-4-8(14)11(12)13(10)18-16/h4-6H,16H2,1-3H3,(H,17,18).
What are the key properties of (5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine?
(5-bromo-8-chloro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine has a molecular weight of 328.64 g/mol, XLogP of 4.37, 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-methyl-3-propan-2-ylquinolin-4-yl)hydrazine is sourced from PubChem (CID 63483898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).