1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine

C32H31N3O5 — CID 22976758

IUPAC1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NNCOOc2ccc3ccccc3n2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H31N3O5/c1-36-27-15-9-24(10-16-27)32(25-11-17-28(37-2)18-12-25,26-13-19-29(38-3)20-14-26)35-33-22-39-40-31-21-8-23-6-4-5-7-30(23)34-31/h4-21,33,35H,22H2,1-3H3
InChIKeyFZXMNLYXCNHYFJ-UHFFFAOYSA-N
MW537.62 g/mol
LogP5.61
Rot. Bonds12

About 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine

1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine (PubChem CID 22976758) has the molecular formula C32H31N3O5 and a molecular weight of 537.62 g/mol. Its IUPAC name is 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine
PubChem CID22976758
Molecular FormulaC32H31N3O5
Molecular Weight537.62 g/mol
Exact Mass537.23
IUPAC Name1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NNCOOc2ccc3ccccc3n2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H31N3O5/c1-36-27-15-9-24(10-16-27)32(25-11-17-28(37-2)18-12-25,26-13-19-29(38-3)20-14-26)35-33-22-39-40-31-21-8-23-6-4-5-7-30(23)34-31/h4-21,33,35H,22H2,1-3H3
InChIKeyFZXMNLYXCNHYFJ-UHFFFAOYSA-N
XLogP5.61
TPSA83.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate
CID 22887562
2-(3,5-dimethoxyphenoxy)quinoline
CID 175975830
2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline
CID 175975799
1-(thiophen-2-ylperoxymethyl)-2-tritylhydrazine
CID 22976759
1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 20705841
phosphane;2-quinolin-2-yloxyquinoline
CID 166708861
2-quinolin-2-yloxyethanamine
CID 62348403
2-methyl-1-quinolin-2-yloxypropan-2-amine
CID 64537198
N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
CID 11795851
quinolin-2-yl hypofluorite
CID 141219202
[(4-methoxyphenyl)-quinolin-2-ylmethyl]hydrazine
CID 105218693
1,3-bis[[(4-methoxyphenyl)-diphenylmethyl]amino]propan-2-ol
CID 10579918

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine (CID 22976758) is 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NNCOOc2ccc3ccccc3n2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine?
The InChIKey is FZXMNLYXCNHYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O5/c1-36-27-15-9-24(10-16-27)32(25-11-17-28(37-2)18-12-25,26-13-19-29(38-3)20-14-26)35-33-22-39-40-31-21-8-23-6-4-5-7-30(23)34-31/h4-21,33,35H,22H2,1-3H3.
What are the key properties of 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine?
1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine has a molecular weight of 537.62 g/mol, XLogP of 5.61, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-2-ylperoxymethyl)-2-[tris(4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 22976758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).