2-(quinolin-8-yliminomethyl)benzene-1,4-diol

C16H12N2O2 — CID 136851567

IUPAC2-(quinolin-8-yliminomethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(/C=N/c2cccc3cccnc23)c1
InChIInChI=1S/C16H12N2O2/c19-13-6-7-15(20)12(9-13)10-18-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19-20H/b18-10+
InChIKeyAVSWIHRJFZEZSA-VCHYOVAHSA-N
MW264.28 g/mol
LogP3.40
Rot. Bonds2

About 2-(quinolin-8-yliminomethyl)benzene-1,4-diol

2-(quinolin-8-yliminomethyl)benzene-1,4-diol (PubChem CID 136851567) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(quinolin-8-yliminomethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(quinolin-8-yliminomethyl)benzene-1,4-diol
PubChem CID136851567
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-(quinolin-8-yliminomethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(/C=N/c2cccc3cccnc23)c1
InChIInChI=1S/C16H12N2O2/c19-13-6-7-15(20)12(9-13)10-18-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19-20H/b18-10+
InChIKeyAVSWIHRJFZEZSA-VCHYOVAHSA-N
XLogP3.40
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(quinolin-8-yliminomethyl)phenol
CID 137082979
2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
CID 136675336
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
4-nitro-2-(quinolin-8-yliminomethyl)phenolate
CID 2223529
2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol
CID 4191930
3-(quinolin-8-yldiazenyl)naphthalen-2-ol
CID 146350410
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
4-chloro-2-nitro-6-(quinolin-8-yliminomethyl)phenolate
CID 7034126
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
4-bromo-2-(quinolin-8-yliminomethyl)phenolate;4-chloro-2-(quinolin-8-yliminomethyl)phenolate;iron(3+);methanol;isothiocyanate
CID 139178147
N-(2,4-dimethylphenyl)-1-quinolin-8-ylmethanimine
CID 10635102

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-8-yliminomethyl)benzene-1,4-diol?
The IUPAC name of 2-(quinolin-8-yliminomethyl)benzene-1,4-diol (CID 136851567) is 2-(quinolin-8-yliminomethyl)benzene-1,4-diol.
What is the SMILES notation for 2-(quinolin-8-yliminomethyl)benzene-1,4-diol?
The canonical SMILES for 2-(quinolin-8-yliminomethyl)benzene-1,4-diol is Oc1ccc(O)c(/C=N/c2cccc3cccnc23)c1.
What is the InChIKey of 2-(quinolin-8-yliminomethyl)benzene-1,4-diol?
The InChIKey is AVSWIHRJFZEZSA-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-13-6-7-15(20)12(9-13)10-18-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19-20H/b18-10+.
What are the key properties of 2-(quinolin-8-yliminomethyl)benzene-1,4-diol?
2-(quinolin-8-yliminomethyl)benzene-1,4-diol has a molecular weight of 264.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-8-yliminomethyl)benzene-1,4-diol is sourced from PubChem (CID 136851567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).