4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol

C18H17N3O — CID 135504347

IUPAC4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1ccc2cc(C)c(N/N=C/c3ccc(O)cc3)nc2c1
InChIInChI=1S/C18H17N3O/c1-12-3-6-15-10-13(2)18(20-17(15)9-12)21-19-11-14-4-7-16(22)8-5-14/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyKNKNEAIJIQNANG-YBFXNURJSA-N
MW291.35 g/mol
LogP4.00
Rot. Bonds3

About 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135504347) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135504347
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1ccc2cc(C)c(N/N=C/c3ccc(O)cc3)nc2c1
InChIInChI=1S/C18H17N3O/c1-12-3-6-15-10-13(2)18(20-17(15)9-12)21-19-11-14-4-7-16(22)8-5-14/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyKNKNEAIJIQNANG-YBFXNURJSA-N
XLogP4.00
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol (CID 135504347) is 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol is Cc1ccc2cc(C)c(N/N=C/c3ccc(O)cc3)nc2c1.
What is the InChIKey of 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is KNKNEAIJIQNANG-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-3-6-15-10-13(2)18(20-17(15)9-12)21-19-11-14-4-7-16(22)8-5-14/h3-11,22H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 291.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135504347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).