(8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine

C12H13BrClN3 — CID 104725289

IUPAC(8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine
SMILESCCc1cc2c(Cl)c(C)cc(Br)c2nc1NN
InChIInChI=1S/C12H13BrClN3/c1-3-7-5-8-10(14)6(2)4-9(13)11(8)16-12(7)17-15/h4-5H,3,15H2,1-2H3,(H,16,17)
InChIKeyMMZLYEIAYGHMQO-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.81
Rot. Bonds2

About (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine

(8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine (PubChem CID 104725289) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine
PubChem CID104725289
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name(8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine
SMILESCCc1cc2c(Cl)c(C)cc(Br)c2nc1NN
InChIInChI=1S/C12H13BrClN3/c1-3-7-5-8-10(14)6(2)4-9(13)11(8)16-12(7)17-15/h4-5H,3,15H2,1-2H3,(H,16,17)
InChIKeyMMZLYEIAYGHMQO-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 ≤ 500314.61
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'}

Analyze (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride
CID 43866124
5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine
CID 104728368
(3-ethyl-8-fluoro-5-methylquinolin-2-yl)hydrazine
CID 63232243
(3-ethyl-5-fluoro-8-methylquinolin-2-yl)hydrazine
CID 63232655
(5-bromo-3-ethyl-8-methoxyquinolin-2-yl)hydrazine
CID 63233442
(6-chloro-3-ethyl-8-fluoroquinolin-2-yl)hydrazine
CID 63232613
(3-ethyl-6-fluoro-8-methylquinolin-2-yl)hydrazine
CID 63232452
2,8-dibromo-5-chloro-6-methylquinoline
CID 102941285
(3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine
CID 79046825
(5-bromo-8-fluoro-3-propylquinolin-2-yl)hydrazine
CID 63233439
(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine
CID 113445996
3-ethyl-5,8-difluoro-N,6-dimethylquinolin-2-amine
CID 103587513

Frequently Asked Questions

What is the IUPAC name of (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine?
The IUPAC name of (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine (CID 104725289) is (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine.
What is the SMILES notation for (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine?
The canonical SMILES for (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine is CCc1cc2c(Cl)c(C)cc(Br)c2nc1NN.
What is the InChIKey of (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine?
The InChIKey is MMZLYEIAYGHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-3-7-5-8-10(14)6(2)4-9(13)11(8)16-12(7)17-15/h4-5H,3,15H2,1-2H3,(H,16,17).
What are the key properties of (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine?
(8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine has a molecular weight of 314.61 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 (8-bromo-5-chloro-3-ethyl-6-methylquinolin-2-yl)hydrazine is sourced from PubChem (CID 104725289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).