3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol

C24H29N3O — CID 136718416

IUPAC3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(O)c(/C=N\Nc2cccc3cccnc23)c(C(C)(C)C)c1
InChIInChI=1S/C24H29N3O/c1-23(2,3)17-13-19(24(4,5)6)18(21(28)14-17)15-26-27-20-11-7-9-16-10-8-12-25-22(16)20/h7-15,27-28H,1-6H3/b26-15-
InChIKeyBZGFOTCNZKAUFP-YSMPRRRNSA-N
MW375.52 g/mol
LogP5.98
Rot. Bonds3

About 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol

3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol (PubChem CID 136718416) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
PubChem CID136718416
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(O)c(/C=N\Nc2cccc3cccnc23)c(C(C)(C)C)c1
InChIInChI=1S/C24H29N3O/c1-23(2,3)17-13-19(24(4,5)6)18(21(28)14-17)15-26-27-20-11-7-9-16-10-8-12-25-22(16)20/h7-15,27-28H,1-6H3/b26-15-
InChIKeyBZGFOTCNZKAUFP-YSMPRRRNSA-N
XLogP5.98
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.98
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
CID 7721506
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136914182
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
CID 171981198
N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine
CID 78614143
N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine
CID 45037906
2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
methanol;quinolin-8-ol
CID 161490698
quinolin-8-ol;yttrium
CID 174635627

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol (CID 136718416) is 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol is CC(C)(C)c1cc(O)c(/C=N\Nc2cccc3cccnc23)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The InChIKey is BZGFOTCNZKAUFP-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H29N3O/c1-23(2,3)17-13-19(24(4,5)6)18(21(28)14-17)15-26-27-20-11-7-9-16-10-8-12-25-22(16)20/h7-15,27-28H,1-6H3/b26-15-.
What are the key properties of 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol has a molecular weight of 375.52 g/mol, XLogP of 5.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 136718416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).