1-(3-bromoquinolin-2-yl)heptylhydrazine

C16H22BrN3 — CID 105257321

IUPAC1-(3-bromoquinolin-2-yl)heptylhydrazine
SMILESCCCCCCC(NN)c1nc2ccccc2cc1Br
InChIInChI=1S/C16H22BrN3/c1-2-3-4-5-10-15(20-18)16-13(17)11-12-8-6-7-9-14(12)19-16/h6-9,11,15,20H,2-5,10,18H2,1H3
InChIKeyFRVBSACZVLKPTF-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.47
Rot. Bonds7

About 1-(3-bromoquinolin-2-yl)heptylhydrazine

1-(3-bromoquinolin-2-yl)heptylhydrazine (PubChem CID 105257321) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(3-bromoquinolin-2-yl)heptylhydrazine.

Molecular Properties

Compound Name1-(3-bromoquinolin-2-yl)heptylhydrazine
PubChem CID105257321
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(3-bromoquinolin-2-yl)heptylhydrazine
SMILESCCCCCCC(NN)c1nc2ccccc2cc1Br
InChIInChI=1S/C16H22BrN3/c1-2-3-4-5-10-15(20-18)16-13(17)11-12-8-6-7-9-14(12)19-16/h6-9,11,15,20H,2-5,10,18H2,1H3
InChIKeyFRVBSACZVLKPTF-UHFFFAOYSA-N
XLogP4.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromoquinolin-2-yl)-3-ethylpentyl]hydrazine
CID 105257345
1-quinolin-3-ylnonylhydrazine
CID 105286952
1-naphthalen-2-ylnonylhydrazine
CID 105213332
1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 114856703
[1-(3-bromoquinolin-2-yl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 105257250
[1-(3-bromoquinolin-2-yl)-2-methylpropyl]hydrazine
CID 105257290
1-quinolin-2-yloctan-1-amine
CID 63222846
1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
CID 114013472
1-(3-bromoquinolin-2-yl)-N,3-diethylpentan-1-amine
CID 82909949
acridine;heptane
CID 158562494
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoquinolin-2-yl)heptylhydrazine?
The IUPAC name of 1-(3-bromoquinolin-2-yl)heptylhydrazine (CID 105257321) is 1-(3-bromoquinolin-2-yl)heptylhydrazine.
What is the SMILES notation for 1-(3-bromoquinolin-2-yl)heptylhydrazine?
The canonical SMILES for 1-(3-bromoquinolin-2-yl)heptylhydrazine is CCCCCCC(NN)c1nc2ccccc2cc1Br.
What is the InChIKey of 1-(3-bromoquinolin-2-yl)heptylhydrazine?
The InChIKey is FRVBSACZVLKPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-2-3-4-5-10-15(20-18)16-13(17)11-12-8-6-7-9-14(12)19-16/h6-9,11,15,20H,2-5,10,18H2,1H3.
What are the key properties of 1-(3-bromoquinolin-2-yl)heptylhydrazine?
1-(3-bromoquinolin-2-yl)heptylhydrazine has a molecular weight of 336.28 g/mol, XLogP of 4.47, 7 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)heptylhydrazine is sourced from PubChem (CID 105257321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).