1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine

C26H31N3 — CID 169386217

IUPAC1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine
SMILESCC1CC(C)(C)N(Cc2ccccc2)c2ccc(CNNc3ccccc3)cc21
InChIInChI=1S/C26H31N3/c1-20-17-26(2,3)29(19-21-10-6-4-7-11-21)25-15-14-22(16-24(20)25)18-27-28-23-12-8-5-9-13-23/h4-16,20,27-28H,17-19H2,1-3H3
InChIKeyGBSXQFSJSXOONW-UHFFFAOYSA-N
MW385.56 g/mol
LogP6.10
Rot. Bonds6

About 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine

1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine (PubChem CID 169386217) has the molecular formula C26H31N3 and a molecular weight of 385.56 g/mol. Its IUPAC name is 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine
PubChem CID169386217
Molecular FormulaC26H31N3
Molecular Weight385.56 g/mol
Exact Mass385.25
IUPAC Name1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine
SMILESCC1CC(C)(C)N(Cc2ccccc2)c2ccc(CNNc3ccccc3)cc21
InChIInChI=1S/C26H31N3/c1-20-17-26(2,3)29(19-21-10-6-4-7-11-21)25-15-14-22(16-24(20)25)18-27-28-23-12-8-5-9-13-23/h4-16,20,27-28H,17-19H2,1-3H3
InChIKeyGBSXQFSJSXOONW-UHFFFAOYSA-N
XLogP6.10
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidenehydrazine
CID 168530631
1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
CID 21498615
5-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599526
[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 168533205
9-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 91670572
2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394948
ethyl 5-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-2H-triazole-4-carboxylate
CID 169400922
(5E)-3-benzyl-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50860254
1-phenyl-3-[(E)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50862117
(12S)-12-[(4S)-1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 100899627
N-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 75560608
2,2,4-trimethyl-1-(2-phenylmethoxyethyl)-3,4-dihydroquinoline
CID 21407626

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine (CID 169386217) is 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine is CC1CC(C)(C)N(Cc2ccccc2)c2ccc(CNNc3ccccc3)cc21.
What is the InChIKey of 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine?
The InChIKey is GBSXQFSJSXOONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3/c1-20-17-26(2,3)29(19-21-10-6-4-7-11-21)25-15-14-22(16-24(20)25)18-27-28-23-12-8-5-9-13-23/h4-16,20,27-28H,17-19H2,1-3H3.
What are the key properties of 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine?
1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine has a molecular weight of 385.56 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).