[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine

C17H16BrN3 — CID 105327263

IUPAC[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine
SMILESCc1cc(Br)ccc1C(NN)c1ccc2ncccc2c1
InChIInChI=1S/C17H16BrN3/c1-11-9-14(18)5-6-15(11)17(21-19)13-4-7-16-12(10-13)3-2-8-20-16/h2-10,17,21H,19H2,1H3
InChIKeyWOXREDANUMSFRO-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.86
Rot. Bonds3

About [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine

[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine (PubChem CID 105327263) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine
PubChem CID105327263
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine
SMILESCc1cc(Br)ccc1C(NN)c1ccc2ncccc2c1
InChIInChI=1S/C17H16BrN3/c1-11-9-14(18)5-6-15(11)17(21-19)13-4-7-16-12(10-13)3-2-8-20-16/h2-10,17,21H,19H2,1H3
InChIKeyWOXREDANUMSFRO-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.86
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

[(4-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105281033
[(3-bromophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105198115
[(3-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 106648882
[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327312
[(3-bromo-2-chlorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327335
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096681
[(4-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105192827
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051
[(2-bromo-6-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105280520
[(2,5-dichlorothiophen-3-yl)-quinolin-6-ylmethyl]hydrazine
CID 107970510
[(3-fluoro-4-pyridinyl)-quinolin-6-ylmethyl]hydrazine
CID 105218542
[(2-methyl-1,3-thiazol-5-yl)-quinolin-6-ylmethyl]hydrazine
CID 114031832

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine?
The IUPAC name of [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine (CID 105327263) is [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine.
What is the SMILES notation for [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine?
The canonical SMILES for [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine is Cc1cc(Br)ccc1C(NN)c1ccc2ncccc2c1.
What is the InChIKey of [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine?
The InChIKey is WOXREDANUMSFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-11-9-14(18)5-6-15(11)17(21-19)13-4-7-16-12(10-13)3-2-8-20-16/h2-10,17,21H,19H2,1H3.
What are the key properties of [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine?
[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine has a molecular weight of 342.24 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine is sourced from PubChem (CID 105327263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).