4-chloro-2-(quinolin-8-yliminomethyl)phenol

C16H11ClN2O — CID 3490788

IUPAC4-chloro-2-(quinolin-8-yliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/c1cccc2cccnc12
InChIInChI=1S/C16H11ClN2O/c17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20H/b19-10+
InChIKeyKLFCVAKGVZVKCQ-VXLYETTFSA-N
MW282.73 g/mol
LogP4.34
Rot. Bonds2

About 4-chloro-2-(quinolin-8-yliminomethyl)phenol

4-chloro-2-(quinolin-8-yliminomethyl)phenol (PubChem CID 3490788) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-2-(quinolin-8-yliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(quinolin-8-yliminomethyl)phenol
PubChem CID3490788
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name4-chloro-2-(quinolin-8-yliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/c1cccc2cccnc12
InChIInChI=1S/C16H11ClN2O/c17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20H/b19-10+
InChIKeyKLFCVAKGVZVKCQ-VXLYETTFSA-N
XLogP4.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.34
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 4-chloro-2-(quinolin-8-yliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(quinolin-8-yliminomethyl)phenol (CID 3490788) is 4-chloro-2-(quinolin-8-yliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(quinolin-8-yliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(quinolin-8-yliminomethyl)phenol is Oc1ccc(Cl)cc1/C=N/c1cccc2cccnc12.
What is the InChIKey of 4-chloro-2-(quinolin-8-yliminomethyl)phenol?
The InChIKey is KLFCVAKGVZVKCQ-VXLYETTFSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20H/b19-10+.
What are the key properties of 4-chloro-2-(quinolin-8-yliminomethyl)phenol?
4-chloro-2-(quinolin-8-yliminomethyl)phenol has a molecular weight of 282.73 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(quinolin-8-yliminomethyl)phenol is sourced from PubChem (CID 3490788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).