2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

C27H32N4O4 — CID 50859936

IUPAC2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3cccc(C)c3)C1=O)C(C)CC(C)(C)N2C
InChIInChI=1S/C27H32N4O4/c1-16-8-7-9-19(10-16)28-24(32)15-31-25(33)21(29-26(31)34)12-18-11-20-17(2)14-27(3,4)30(5)22(20)13-23(18)35-6/h7-13,17H,14-15H2,1-6H3,(H,28,32)(H,29,34)/b21-12+
InChIKeyFCMDLSLZQIIYOH-CIAFOILYSA-N
MW476.58 g/mol
LogP4.26
Rot. Bonds5

About 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 50859936) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID50859936
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3cccc(C)c3)C1=O)C(C)CC(C)(C)N2C
InChIInChI=1S/C27H32N4O4/c1-16-8-7-9-19(10-16)28-24(32)15-31-25(33)21(29-26(31)34)12-18-11-20-17(2)14-27(3,4)30(5)22(20)13-23(18)35-6/h7-13,17H,14-15H2,1-6H3,(H,28,32)(H,29,34)/b21-12+
InChIKeyFCMDLSLZQIIYOH-CIAFOILYSA-N
XLogP4.26
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 50859936) is 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is COc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3cccc(C)c3)C1=O)C(C)CC(C)(C)N2C.
What is the InChIKey of 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is FCMDLSLZQIIYOH-CIAFOILYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-16-8-7-9-19(10-16)28-24(32)15-31-25(33)21(29-26(31)34)12-18-11-20-17(2)14-27(3,4)30(5)22(20)13-23(18)35-6/h7-13,17H,14-15H2,1-6H3,(H,28,32)(H,29,34)/b21-12+.
What are the key properties of 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 476.58 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 50859936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).