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

C16H13N3O2 — CID 4840474

IUPAC3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cccc(C=NNc2ccc3ccccc3n2)c1O
InChIInChI=1S/C16H13N3O2/c20-14-7-3-5-12(16(14)21)10-17-19-15-9-8-11-4-1-2-6-13(11)18-15/h1-10,20-21H,(H,18,19)
InChIKeyPGDJPVIWDPLCQV-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.09
Rot. Bonds3

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

3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 4840474) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID4840474
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cccc(C=NNc2ccc3ccccc3n2)c1O
InChIInChI=1S/C16H13N3O2/c20-14-7-3-5-12(16(14)21)10-17-19-15-9-8-11-4-1-2-6-13(11)18-15/h1-10,20-21H,(H,18,19)
InChIKeyPGDJPVIWDPLCQV-UHFFFAOYSA-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
4-tert-butyl-2,6-bis[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135590058
2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
CID 163327922
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]quinolin-2-amine
CID 29250260
2-[(2E)-2-[(8-hydroxyquinolin-7-yl)methylidene]hydrazinyl]quinolin-8-ol
CID 135509586
2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 136690371
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
CID 5213107
4-[(quinolin-2-ylhydrazinylidene)methyl]benzonitrile
CID 3537773
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
CID 6059144
5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol
CID 135537580
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3350036

Frequently Asked Questions

What is the IUPAC name of 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol (CID 4840474) is 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol is Oc1cccc(C=NNc2ccc3ccccc3n2)c1O.
What is the InChIKey of 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is PGDJPVIWDPLCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-14-7-3-5-12(16(14)21)10-17-19-15-9-8-11-4-1-2-6-13(11)18-15/h1-10,20-21H,(H,18,19).
What are the key properties of 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-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 3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 4840474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).