1-(quinolin-8-yliminomethyl)naphthalen-2-ol

C20H14N2O — CID 4863497

IUPAC1-(quinolin-8-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cccc2cccnc12
InChIInChI=1S/C20H14N2O/c23-19-11-10-14-5-1-2-8-16(14)17(19)13-22-18-9-3-6-15-7-4-12-21-20(15)18/h1-13,23H/b22-13+
InChIKeyNYATZZYCIAUYIB-LPYMAVHISA-N
MW298.35 g/mol
LogP4.84
Rot. Bonds2

About 1-(quinolin-8-yliminomethyl)naphthalen-2-ol

1-(quinolin-8-yliminomethyl)naphthalen-2-ol (PubChem CID 4863497) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(quinolin-8-yliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(quinolin-8-yliminomethyl)naphthalen-2-ol
PubChem CID4863497
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name1-(quinolin-8-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1cccc2cccnc12
InChIInChI=1S/C20H14N2O/c23-19-11-10-14-5-1-2-8-16(14)17(19)13-22-18-9-3-6-15-7-4-12-21-20(15)18/h1-13,23H/b22-13+
InChIKeyNYATZZYCIAUYIB-LPYMAVHISA-N
XLogP4.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-yliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(quinolin-8-yliminomethyl)naphthalen-2-ol (CID 4863497) is 1-(quinolin-8-yliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(quinolin-8-yliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(quinolin-8-yliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1cccc2cccnc12.
What is the InChIKey of 1-(quinolin-8-yliminomethyl)naphthalen-2-ol?
The InChIKey is NYATZZYCIAUYIB-LPYMAVHISA-N. The full InChI is InChI=1S/C20H14N2O/c23-19-11-10-14-5-1-2-8-16(14)17(19)13-22-18-9-3-6-15-7-4-12-21-20(15)18/h1-13,23H/b22-13+.
What are the key properties of 1-(quinolin-8-yliminomethyl)naphthalen-2-ol?
1-(quinolin-8-yliminomethyl)naphthalen-2-ol has a molecular weight of 298.35 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-yliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 4863497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).