[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine

C14H16BrN3 — CID 105257346

IUPAC[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1nc2ccccc2cc1Br
InChIInChI=1S/C14H16BrN3/c1-9(2)7-13(18-16)14-11(15)8-10-5-3-4-6-12(10)17-14/h3-8,13,18H,16H2,1-2H3
InChIKeyWNQUNNNFLLTWHK-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.47
Rot. Bonds3

About [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine

[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine (PubChem CID 105257346) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine
PubChem CID105257346
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1nc2ccccc2cc1Br
InChIInChI=1S/C14H16BrN3/c1-9(2)7-13(18-16)14-11(15)8-10-5-3-4-6-12(10)17-14/h3-8,13,18H,16H2,1-2H3
InChIKeyWNQUNNNFLLTWHK-UHFFFAOYSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromoquinolin-2-yl)-2-methylpropyl]hydrazine
CID 105257290
[1-(3-bromoquinolin-2-yl)-3-ethylpentyl]hydrazine
CID 105257345
[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105257271
1-(3-bromoquinolin-2-yl)heptylhydrazine
CID 105257321
[1-(3-bromoquinolin-2-yl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105257250
1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
CID 114013472
1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine
CID 82909949
(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol
CID 106645159
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine
CID 114659165
(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688819
1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 114856703
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319885

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine (CID 105257346) is [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)c1nc2ccccc2cc1Br.
What is the InChIKey of [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is WNQUNNNFLLTWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9(2)7-13(18-16)14-11(15)8-10-5-3-4-6-12(10)17-14/h3-8,13,18H,16H2,1-2H3.
What are the key properties of [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine?
[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 306.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 105257346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).