2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol

C20H15N3O — CID 135498018

IUPAC2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol
SMILESOc1c(/C=N/Nc2cccc3cccnc23)ccc2ccccc12
InChIInChI=1S/C20H15N3O/c24-20-16(11-10-14-5-1-2-8-17(14)20)13-22-23-18-9-3-6-15-7-4-12-21-19(15)18/h1-13,23-24H/b22-13+
InChIKeyNCWZBKKOWLSMFW-LPYMAVHISA-N
MW313.36 g/mol
LogP4.54
Rot. Bonds3

About 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol

2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol (PubChem CID 135498018) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol
PubChem CID135498018
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol
SMILESOc1c(/C=N/Nc2cccc3cccnc23)ccc2ccccc12
InChIInChI=1S/C20H15N3O/c24-20-16(11-10-14-5-1-2-8-17(14)20)13-22-23-18-9-3-6-15-7-4-12-21-19(15)18/h1-13,23-24H/b22-13+
InChIKeyNCWZBKKOWLSMFW-LPYMAVHISA-N
XLogP4.54
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.54
H-Bond Donors ≤ 52
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)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol (CID 135498018) is 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol is Oc1c(/C=N/Nc2cccc3cccnc23)ccc2ccccc12.
What is the InChIKey of 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol?
The InChIKey is NCWZBKKOWLSMFW-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15N3O/c24-20-16(11-10-14-5-1-2-8-17(14)20)13-22-23-18-9-3-6-15-7-4-12-21-19(15)18/h1-13,23-24H/b22-13+.
What are the key properties of 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol?
2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol has a molecular weight of 313.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-1-ol is sourced from PubChem (CID 135498018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).