4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol

C16H13N3O3 — CID 3407357

IUPAC4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NNc2ccc3ccccc3n2)c(O)c1O
InChIInChI=1S/C16H13N3O3/c20-13-7-5-11(15(21)16(13)22)9-17-19-14-8-6-10-3-1-2-4-12(10)18-14/h1-9,20-22H,(H,18,19)
InChIKeyMUZGSMNTZJCHIE-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.80
Rot. Bonds3

About 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol

4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol (PubChem CID 3407357) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
PubChem CID3407357
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NNc2ccc3ccccc3n2)c(O)c1O
InChIInChI=1S/C16H13N3O3/c20-13-7-5-11(15(21)16(13)22)9-17-19-14-8-6-10-3-1-2-4-12(10)18-14/h1-9,20-22H,(H,18,19)
InChIKeyMUZGSMNTZJCHIE-UHFFFAOYSA-N
XLogP2.80
TPSA97.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol with MolForge

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Related Compounds

3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 4840474
4-tert-butyl-2,6-bis[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135590058
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3350036
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
CID 163327922
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]quinolin-2-amine
CID 29250260
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 4599440
2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 136690371
5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol
CID 135537580
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
CID 5213107
2-[(2E)-2-[(8-hydroxyquinolin-7-yl)methylidene]hydrazinyl]quinolin-8-ol
CID 135509586
5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride
CID 171151082

Frequently Asked Questions

What is the IUPAC name of 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol (CID 3407357) is 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol is Oc1ccc(C=NNc2ccc3ccccc3n2)c(O)c1O.
What is the InChIKey of 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The InChIKey is MUZGSMNTZJCHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-13-7-5-11(15(21)16(13)22)9-17-19-14-8-6-10-3-1-2-4-12(10)18-14/h1-9,20-22H,(H,18,19).
What are the key properties of 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol has a molecular weight of 295.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol is sourced from PubChem (CID 3407357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).