(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine

C14H18BrN3 — CID 63482066

IUPAC(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine
SMILESCc1cc(Br)c2nc(C(C)(C)C)cc(NN)c2c1
InChIInChI=1S/C14H18BrN3/c1-8-5-9-11(18-16)7-12(14(2,3)4)17-13(9)10(15)6-8/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyGGUXUSHWZFFEGO-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.89
Rot. Bonds1

About (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine

(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine (PubChem CID 63482066) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine
PubChem CID63482066
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine
SMILESCc1cc(Br)c2nc(C(C)(C)C)cc(NN)c2c1
InChIInChI=1S/C14H18BrN3/c1-8-5-9-11(18-16)7-12(14(2,3)4)17-13(9)10(15)6-8/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyGGUXUSHWZFFEGO-UHFFFAOYSA-N
XLogP3.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.89
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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Related Compounds

(2-tert-butyl-6,8-dimethylquinolin-4-yl)hydrazine
CID 62251885
8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine
CID 63480755
(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine
CID 107629079
(2-tert-butyl-6,8-dichloroquinolin-4-yl)hydrazine
CID 63482793
6,8-dibromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 55196158
[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 107629093
8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
CID 62320624
2-tert-butyl-6,8-dimethylquinolin-4-amine
CID 62201635
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 107628611
(4-bromo-1,6-dimethylbenzimidazol-2-yl)hydrazine
CID 84635551
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 62196271

Frequently Asked Questions

What is the IUPAC name of (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine?
The IUPAC name of (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine (CID 63482066) is (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine.
What is the SMILES notation for (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine?
The canonical SMILES for (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine is Cc1cc(Br)c2nc(C(C)(C)C)cc(NN)c2c1.
What is the InChIKey of (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine?
The InChIKey is GGUXUSHWZFFEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-8-5-9-11(18-16)7-12(14(2,3)4)17-13(9)10(15)6-8/h5-7H,16H2,1-4H3,(H,17,18).
What are the key properties of (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine?
(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine has a molecular weight of 308.22 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine is sourced from PubChem (CID 63482066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).