2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol

C17H15N3O — CID 135443555

IUPAC2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1ccccc1O)c1ccc2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-20(18-12-14-7-3-5-9-16(14)21)17-11-10-13-6-2-4-8-15(13)19-17/h2-12,21H,1H3/b18-12+
InChIKeyCFYWZXMOVDVVDV-LDADJPATSA-N
MW277.33 g/mol
LogP3.41
Rot. Bonds3

About 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol

2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135443555) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135443555
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1ccccc1O)c1ccc2ccccc2n1
InChIInChI=1S/C17H15N3O/c1-20(18-12-14-7-3-5-9-16(14)21)17-11-10-13-6-2-4-8-15(13)19-17/h2-12,21H,1H3/b18-12+
InChIKeyCFYWZXMOVDVVDV-LDADJPATSA-N
XLogP3.41
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol (CID 135443555) is 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol is CN(/N=C/c1ccccc1O)c1ccc2ccccc2n1.
What is the InChIKey of 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is CFYWZXMOVDVVDV-LDADJPATSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20(18-12-14-7-3-5-9-16(14)21)17-11-10-13-6-2-4-8-15(13)19-17/h2-12,21H,1H3/b18-12+.
What are the key properties of 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[methyl(quinolin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135443555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).