[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea

C21H26N4O — CID 168533205

IUPAC[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
SMILESCC1CC(C)(C)N(Cc2ccccc2)c2ccc(C=NNC(N)=O)cc21
InChIInChI=1S/C21H26N4O/c1-15-12-21(2,3)25(14-16-7-5-4-6-8-16)19-10-9-17(11-18(15)19)13-23-24-20(22)26/h4-11,13,15H,12,14H2,1-3H3,(H3,22,24,26)
InChIKeyLOHRMZLAIUJTJM-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.98
Rot. Bonds4

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

[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea (PubChem CID 168533205) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
PubChem CID168533205
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
SMILESCC1CC(C)(C)N(Cc2ccccc2)c2ccc(C=NNC(N)=O)cc21
InChIInChI=1S/C21H26N4O/c1-15-12-21(2,3)25(14-16-7-5-4-6-8-16)19-10-9-17(11-18(15)19)13-23-24-20(22)26/h4-11,13,15H,12,14H2,1-3H3,(H3,22,24,26)
InChIKeyLOHRMZLAIUJTJM-UHFFFAOYSA-N
XLogP3.98
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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
N-[(Z)-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 124648953
1-phenyl-3-[(E)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50862117
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-hydroxybenzamide
CID 133170391
5-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599526
N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50862138
2-(2-chlorophenoxy)-N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50860319
1-phenyl-3-[(E)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50858288
1-phenyl-3-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 133170319
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860149
3-bromo-N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170363
N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 99885591

Frequently Asked Questions

What is the IUPAC name of [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea?
The IUPAC name of [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea (CID 168533205) is [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea.
What is the SMILES notation for [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea?
The canonical SMILES for [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea is CC1CC(C)(C)N(Cc2ccccc2)c2ccc(C=NNC(N)=O)cc21.
What is the InChIKey of [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea?
The InChIKey is LOHRMZLAIUJTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-12-21(2,3)25(14-16-7-5-4-6-8-16)19-10-9-17(11-18(15)19)13-23-24-20(22)26/h4-11,13,15H,12,14H2,1-3H3,(H3,22,24,26).
What are the key properties of [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea?
[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea has a molecular weight of 350.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea is sourced from PubChem (CID 168533205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).