[3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine

C16H22N4 — CID 62244240

IUPAC[3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1CN1CCCCCC1
InChIInChI=1S/C16H22N4/c17-19-16-14(12-20-9-5-1-2-6-10-20)11-13-7-3-4-8-15(13)18-16/h3-4,7-8,11H,1-2,5-6,9-10,12,17H2,(H,18,19)
InChIKeyLMEBBMKTCZJAMM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.90
Rot. Bonds3

About [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine

[3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine (PubChem CID 62244240) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine
PubChem CID62244240
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1CN1CCCCCC1
InChIInChI=1S/C16H22N4/c17-19-16-14(12-20-9-5-1-2-6-10-20)11-13-7-3-4-8-15(13)18-16/h3-4,7-8,11H,1-2,5-6,9-10,12,17H2,(H,18,19)
InChIKeyLMEBBMKTCZJAMM-UHFFFAOYSA-N
XLogP2.90
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.90
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

N-methyl-3-(piperidin-1-ylmethyl)quinolin-2-amine
CID 62182323
[3-[(4-methylpiperidin-1-yl)methyl]quinolin-2-yl]hydrazine
CID 62246122
[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]quinolin-2-yl]hydrazine
CID 79184116
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]quinolin-2-yl]hydrazine
CID 62245796
[1-[(2-hydrazinylquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62246844
[3-(imidazol-1-ylmethyl)quinolin-2-yl]hydrazine
CID 62244078
[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]quinolin-2-yl]hydrazine
CID 62244092
[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62250641
[3-[(3,3-dimethylmorpholin-4-yl)methyl]quinolin-2-yl]hydrazine
CID 62244968
1-[(2-hydrazinylquinolin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 62949579

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine?
The IUPAC name of [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine (CID 62244240) is [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine?
The canonical SMILES for [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine is NNc1nc2ccccc2cc1CN1CCCCCC1.
What is the InChIKey of [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine?
The InChIKey is LMEBBMKTCZJAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-19-16-14(12-20-9-5-1-2-6-10-20)11-13-7-3-4-8-15(13)18-16/h3-4,7-8,11H,1-2,5-6,9-10,12,17H2,(H,18,19).
What are the key properties of [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine?
[3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine has a molecular weight of 270.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-ylmethyl)quinolin-2-yl]hydrazine is sourced from PubChem (CID 62244240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).