[(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine

C15H15N3OS — CID 105286986

IUPAC[(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine
SMILESCOc1csc(C(NN)c2cnc3ccccc3c2)c1
InChIInChI=1S/C15H15N3OS/c1-19-12-7-14(20-9-12)15(18-16)11-6-10-4-2-3-5-13(10)17-8-11/h2-9,15,18H,16H2,1H3
InChIKeyVLOFHRJALNRQSA-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.86
Rot. Bonds4

About [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine

[(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine (PubChem CID 105286986) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine
PubChem CID105286986
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine
SMILESCOc1csc(C(NN)c2cnc3ccccc3c2)c1
InChIInChI=1S/C15H15N3OS/c1-19-12-7-14(20-9-12)15(18-16)11-6-10-4-2-3-5-13(10)17-8-11/h2-9,15,18H,16H2,1H3
InChIKeyVLOFHRJALNRQSA-UHFFFAOYSA-N
XLogP2.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine?
The IUPAC name of [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine (CID 105286986) is [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine.
What is the SMILES notation for [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine?
The canonical SMILES for [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine is COc1csc(C(NN)c2cnc3ccccc3c2)c1.
What is the InChIKey of [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine?
The InChIKey is VLOFHRJALNRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-12-7-14(20-9-12)15(18-16)11-6-10-4-2-3-5-13(10)17-8-11/h2-9,15,18H,16H2,1H3.
What are the key properties of [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine?
[(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine has a molecular weight of 285.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxythiophen-2-yl)-quinolin-3-ylmethyl]hydrazine is sourced from PubChem (CID 105286986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).