4-(quinolin-6-yliminomethyl)benzene-1,3-diol

C16H12N2O2 — CID 660294

IUPAC4-(quinolin-6-yliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccc3ncccc3c2)c(O)c1
InChIInChI=1S/C16H12N2O2/c19-14-5-3-12(16(20)9-14)10-18-13-4-6-15-11(8-13)2-1-7-17-15/h1-10,19-20H/b18-10+
InChIKeyUOPYWJIBUUJJDQ-VCHYOVAHSA-N
MW264.28 g/mol
LogP3.40
Rot. Bonds2

About 4-(quinolin-6-yliminomethyl)benzene-1,3-diol

4-(quinolin-6-yliminomethyl)benzene-1,3-diol (PubChem CID 660294) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(quinolin-6-yliminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(quinolin-6-yliminomethyl)benzene-1,3-diol
PubChem CID660294
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-(quinolin-6-yliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccc3ncccc3c2)c(O)c1
InChIInChI=1S/C16H12N2O2/c19-14-5-3-12(16(20)9-14)10-18-13-4-6-15-11(8-13)2-1-7-17-15/h1-10,19-20H/b18-10+
InChIKeyUOPYWJIBUUJJDQ-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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-6-yliminomethyl)benzene-1,3-diol?
The IUPAC name of 4-(quinolin-6-yliminomethyl)benzene-1,3-diol (CID 660294) is 4-(quinolin-6-yliminomethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(quinolin-6-yliminomethyl)benzene-1,3-diol?
The canonical SMILES for 4-(quinolin-6-yliminomethyl)benzene-1,3-diol is Oc1ccc(/C=N/c2ccc3ncccc3c2)c(O)c1.
What is the InChIKey of 4-(quinolin-6-yliminomethyl)benzene-1,3-diol?
The InChIKey is UOPYWJIBUUJJDQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-14-5-3-12(16(20)9-14)10-18-13-4-6-15-11(8-13)2-1-7-17-15/h1-10,19-20H/b18-10+.
What are the key properties of 4-(quinolin-6-yliminomethyl)benzene-1,3-diol?
4-(quinolin-6-yliminomethyl)benzene-1,3-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 4-(quinolin-6-yliminomethyl)benzene-1,3-diol is sourced from PubChem (CID 660294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).