2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol

C19H17N3O — CID 4104907

IUPAC2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol
SMILESC=CCc1cccc(C=NNc2ccc3ccccc3n2)c1O
InChIInChI=1S/C19H17N3O/c1-2-6-15-8-5-9-16(19(15)23)13-20-22-18-12-11-14-7-3-4-10-17(14)21-18/h2-5,7-13,23H,1,6H2,(H,21,22)
InChIKeyUGULIDAOBZKPGF-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.11
Rot. Bonds5

About 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol

2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 4104907) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol
PubChem CID4104907
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol
SMILESC=CCc1cccc(C=NNc2ccc3ccccc3n2)c1O
InChIInChI=1S/C19H17N3O/c1-2-6-15-8-5-9-16(19(15)23)13-20-22-18-12-11-14-7-3-4-10-17(14)21-18/h2-5,7-13,23H,1,6H2,(H,21,22)
InChIKeyUGULIDAOBZKPGF-UHFFFAOYSA-N
XLogP4.11
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol (CID 4104907) is 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol is C=CCc1cccc(C=NNc2ccc3ccccc3n2)c1O.
What is the InChIKey of 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is UGULIDAOBZKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-6-15-8-5-9-16(19(15)23)13-20-22-18-12-11-14-7-3-4-10-17(14)21-18/h2-5,7-13,23H,1,6H2,(H,21,22).
What are the key properties of 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol?
2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 303.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 4104907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).