3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol

C16H13N3O — CID 5335411

IUPAC3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESOc1cccc(/C=N/Nc2cccc3cccnc23)c1
InChIInChI=1S/C16H13N3O/c20-14-7-1-4-12(10-14)11-18-19-15-8-2-5-13-6-3-9-17-16(13)15/h1-11,19-20H/b18-11+
InChIKeyQZWAXTKQEOEKLZ-WOJGMQOQSA-N
MW263.30 g/mol
LogP3.39
Rot. Bonds3

About 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol

3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol (PubChem CID 5335411) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
PubChem CID5335411
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESOc1cccc(/C=N/Nc2cccc3cccnc23)c1
InChIInChI=1S/C16H13N3O/c20-14-7-1-4-12(10-14)11-18-19-15-8-2-5-13-6-3-9-17-16(13)15/h1-11,19-20H/b18-11+
InChIKeyQZWAXTKQEOEKLZ-WOJGMQOQSA-N
XLogP3.39
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol (CID 5335411) is 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol is Oc1cccc(/C=N/Nc2cccc3cccnc23)c1.
What is the InChIKey of 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The InChIKey is QZWAXTKQEOEKLZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H13N3O/c20-14-7-1-4-12(10-14)11-18-19-15-8-2-5-13-6-3-9-17-16(13)15/h1-11,19-20H/b18-11+.
What are the key properties of 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol has a molecular weight of 263.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 5335411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).