1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol

C25H22N2O2 — CID 5254937

IUPAC1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCC/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C25H22N2O2/c28-24-12-10-18-6-1-3-8-20(18)22(24)16-26-14-5-15-27-17-23-21-9-4-2-7-19(21)11-13-25(23)29/h1-4,6-13,16-17,28-29H,5,14-15H2/b26-16+,27-17+
InChIKeyYAZRUOQJRXLLDL-CTVDDJEBSA-N
MW382.46 g/mol
LogP5.33
Rot. Bonds6

About 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol

1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol (PubChem CID 5254937) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol
PubChem CID5254937
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCC/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C25H22N2O2/c28-24-12-10-18-6-1-3-8-20(18)22(24)16-26-14-5-15-27-17-23-21-9-4-2-7-19(21)11-13-25(23)29/h1-4,6-13,16-17,28-29H,5,14-15H2/b26-16+,27-17+
InChIKeyYAZRUOQJRXLLDL-CTVDDJEBSA-N
XLogP5.33
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol (CID 5254937) is 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/CCC/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol?
The InChIKey is YAZRUOQJRXLLDL-CTVDDJEBSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-24-12-10-18-6-1-3-8-20(18)22(24)16-26-14-5-15-27-17-23-21-9-4-2-7-19(21)11-13-25(23)29/h1-4,6-13,16-17,28-29H,5,14-15H2/b26-16+,27-17+.
What are the key properties of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol?
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol has a molecular weight of 382.46 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 5254937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).