1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine

C16H16ClN3 — CID 145292511

IUPAC1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine
SMILESC=C/C(=C\N(C)N)c1cc(Cl)c2ccc(C=C)cc2n1
InChIInChI=1S/C16H16ClN3/c1-4-11-6-7-13-14(17)9-15(19-16(13)8-11)12(5-2)10-20(3)18/h4-10H,1-2,18H2,3H3/b12-10+
InChIKeyNHOOFQLCZMGFFR-ZRDIBKRKSA-N
MW285.78 g/mol
LogP3.86
Rot. Bonds4

About 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine

1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine (PubChem CID 145292511) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine
PubChem CID145292511
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine
SMILESC=C/C(=C\N(C)N)c1cc(Cl)c2ccc(C=C)cc2n1
InChIInChI=1S/C16H16ClN3/c1-4-11-6-7-13-14(17)9-15(19-16(13)8-11)12(5-2)10-20(3)18/h4-10H,1-2,18H2,3H3/b12-10+
InChIKeyNHOOFQLCZMGFFR-ZRDIBKRKSA-N
XLogP3.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine?
The IUPAC name of 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine (CID 145292511) is 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine.
What is the SMILES notation for 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine?
The canonical SMILES for 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine is C=C/C(=C\N(C)N)c1cc(Cl)c2ccc(C=C)cc2n1.
What is the InChIKey of 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine?
The InChIKey is NHOOFQLCZMGFFR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-4-11-6-7-13-14(17)9-15(19-16(13)8-11)12(5-2)10-20(3)18/h4-10H,1-2,18H2,3H3/b12-10+.
What are the key properties of 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine?
1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine has a molecular weight of 285.78 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine is sourced from PubChem (CID 145292511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).