4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol

C16H13N3O2 — CID 135446612

IUPAC4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2cccc3cccnc23)c(O)c1
InChIInChI=1S/C16H13N3O2/c20-13-7-6-12(15(21)9-13)10-18-19-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19-21H/b18-10+
InChIKeyXHFHISCLVHPFPB-VCHYOVAHSA-N
MW279.30 g/mol
LogP3.09
Rot. Bonds3

About 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol

4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol (PubChem CID 135446612) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol
PubChem CID135446612
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2cccc3cccnc23)c(O)c1
InChIInChI=1S/C16H13N3O2/c20-13-7-6-12(15(21)9-13)10-18-19-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19-21H/b18-10+
InChIKeyXHFHISCLVHPFPB-VCHYOVAHSA-N
XLogP3.09
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol (CID 135446612) is 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2cccc3cccnc23)c(O)c1.
What is the InChIKey of 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol?
The InChIKey is XHFHISCLVHPFPB-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-13-7-6-12(15(21)9-13)10-18-19-14-5-1-3-11-4-2-8-17-16(11)14/h1-10,19-21H/b18-10+.
What are the key properties of 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol?
4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol has a molecular weight of 279.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(quinolin-8-ylhydrazinylidene)methyl]benzene-1,3-diol is sourced from PubChem (CID 135446612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).