[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine

C18H23N3 — CID 106650256

IUPAC[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2=CCCCCC2)c2ccccc2n1
InChIInChI=1S/C18H23N3/c1-13-12-16(15-10-6-7-11-17(15)20-13)18(21-19)14-8-4-2-3-5-9-14/h6-8,10-12,18,21H,2-5,9,19H2,1H3
InChIKeyQHOUQZHZUXYSLL-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds3

About [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine

[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine (PubChem CID 106650256) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine
PubChem CID106650256
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2=CCCCCC2)c2ccccc2n1
InChIInChI=1S/C18H23N3/c1-13-12-16(15-10-6-7-11-17(15)20-13)18(21-19)14-8-4-2-3-5-9-14/h6-8,10-12,18,21H,2-5,9,19H2,1H3
InChIKeyQHOUQZHZUXYSLL-UHFFFAOYSA-N
XLogP3.94
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.94
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-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine
CID 106649457
[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 106648892
[cyclohepten-1-yl-(2-ethylphenyl)methyl]hydrazine
CID 106650270
[2-cyclobutyl-1-(2-methylquinolin-4-yl)ethyl]hydrazine
CID 105310111
[(2-methylquinolin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322432
[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine
CID 105322666
[cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methyl]hydrazine
CID 106650657
[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106694850
[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 106649430
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 102653080
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649679
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595

Frequently Asked Questions

What is the IUPAC name of [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine?
The IUPAC name of [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine (CID 106650256) is [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine.
What is the SMILES notation for [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine?
The canonical SMILES for [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine is Cc1cc(C(NN)C2=CCCCCC2)c2ccccc2n1.
What is the InChIKey of [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine?
The InChIKey is QHOUQZHZUXYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-12-16(15-10-6-7-11-17(15)20-13)18(21-19)14-8-4-2-3-5-9-14/h6-8,10-12,18,21H,2-5,9,19H2,1H3.
What are the key properties of [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine?
[cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine has a molecular weight of 281.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohepten-1-yl-(2-methylquinolin-4-yl)methyl]hydrazine is sourced from PubChem (CID 106650256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).