[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine

C15H14BrN3S — CID 105322666

IUPAC[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2cscc2Br)c2ccccc2n1
InChIInChI=1S/C15H14BrN3S/c1-9-6-11(10-4-2-3-5-14(10)18-9)15(19-17)12-7-20-8-13(12)16/h2-8,15,19H,17H2,1H3
InChIKeyDBZOYRJTJCBMFU-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.92
Rot. Bonds3

About [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine (PubChem CID 105322666) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine
PubChem CID105322666
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2cscc2Br)c2ccccc2n1
InChIInChI=1S/C15H14BrN3S/c1-9-6-11(10-4-2-3-5-14(10)18-9)15(19-17)12-7-20-8-13(12)16/h2-8,15,19H,17H2,1H3
InChIKeyDBZOYRJTJCBMFU-UHFFFAOYSA-N
XLogP3.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504847
[(2-methylquinolin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322432
(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
CID 105150602
[1-(2-methylquinolin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316184
[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine
CID 106650256
2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087602
[2-cyclobutyl-1-(2-methylquinolin-4-yl)ethyl]hydrazine
CID 105310111
[(2-bromofuran-3-yl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 106860077
[(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methyl]hydrazine
CID 105322667
N-ethyl-1-(2-methylquinolin-4-yl)-2-thiophen-3-ylethanamine
CID 105137590
[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105322592
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine (CID 105322666) is [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine is Cc1cc(C(NN)c2cscc2Br)c2ccccc2n1.
What is the InChIKey of [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine?
The InChIKey is DBZOYRJTJCBMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-9-6-11(10-4-2-3-5-14(10)18-9)15(19-17)12-7-20-8-13(12)16/h2-8,15,19H,17H2,1H3.
What are the key properties of [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine has a molecular weight of 348.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine is sourced from PubChem (CID 105322666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).