[7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine

C18H17N3 — CID 105224816

IUPAC[7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine
SMILESNNC(c1cccc2ncccc12)C1Cc2ccccc21
InChIInChI=1S/C18H17N3/c19-21-18(16-11-12-5-1-2-6-13(12)16)15-7-3-9-17-14(15)8-4-10-20-17/h1-10,16,18,21H,11,19H2
InChIKeyVJGPDCXDCZAZSP-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.08
Rot. Bonds3

About [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine

[7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine (PubChem CID 105224816) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine
PubChem CID105224816
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine
SMILESNNC(c1cccc2ncccc12)C1Cc2ccccc21
InChIInChI=1S/C18H17N3/c19-21-18(16-11-12-5-1-2-6-13(12)16)15-7-3-9-17-14(15)8-4-10-20-17/h1-10,16,18,21H,11,19H2
InChIKeyVJGPDCXDCZAZSP-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(hydrazinyl)methyl]pyridin-2-amine
CID 105224736
[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734
[quinolin-5-yl(thiolan-3-yl)methyl]hydrazine
CID 105327009
[phenyl(quinolin-5-yl)methyl]hydrazine
CID 105199350
2,3-dihydro-1H-inden-2-yl(quinolin-5-yl)methanol
CID 81209914
[(5-methyloxolan-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326995
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
[(2-iodophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326944
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842792
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105397832
[(4-ethylmorpholin-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105247668
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105224652

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine (CID 105224816) is [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine is NNC(c1cccc2ncccc12)C1Cc2ccccc21.
What is the InChIKey of [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine?
The InChIKey is VJGPDCXDCZAZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-21-18(16-11-12-5-1-2-6-13(12)16)15-7-3-9-17-14(15)8-4-10-20-17/h1-10,16,18,21H,11,19H2.
What are the key properties of [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine?
[7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine has a molecular weight of 275.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-5-yl)methyl]hydrazine is sourced from PubChem (CID 105224816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).