2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide

C26H30N4O3 — CID 50858651

IUPAC2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
SMILESCc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3)C1=O)C(C)CC(C)(C)N2C
InChIInChI=1S/C26H30N4O3/c1-16-11-22-20(17(2)14-26(3,4)29(22)5)12-18(16)13-21-24(32)30(25(33)28-21)15-23(31)27-19-9-7-6-8-10-19/h6-13,17H,14-15H2,1-5H3,(H,27,31)(H,28,33)/b21-13+
InChIKeyUNDHNUMXMVBQBL-FYJGNVAPSA-N
MW446.55 g/mol
LogP4.25
Rot. Bonds4

About 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide

2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide (PubChem CID 50858651) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
PubChem CID50858651
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
SMILESCc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3)C1=O)C(C)CC(C)(C)N2C
InChIInChI=1S/C26H30N4O3/c1-16-11-22-20(17(2)14-26(3,4)29(22)5)12-18(16)13-21-24(32)30(25(33)28-21)15-23(31)27-19-9-7-6-8-10-19/h6-13,17H,14-15H2,1-5H3,(H,27,31)(H,28,33)/b21-13+
InChIKeyUNDHNUMXMVBQBL-FYJGNVAPSA-N
XLogP4.25
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide
CID 50858668
2-[(4E)-4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50859528
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
(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885982
2-[(4E)-4-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 50860719
N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide
CID 132681348
2-[(4E)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50862743
N-(4-bromophenyl)-2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50859945
(5E)-3-benzyl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50862816
N-(4-methoxyphenyl)-2-[(4E)-4-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50864046
1-[(E)-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-phenylurea
CID 99885758
(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 124649351

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide (CID 50858651) is 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide is Cc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3)C1=O)C(C)CC(C)(C)N2C.
What is the InChIKey of 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is UNDHNUMXMVBQBL-FYJGNVAPSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-16-11-22-20(17(2)14-26(3,4)29(22)5)12-18(16)13-21-24(32)30(25(33)28-21)15-23(31)27-19-9-7-6-8-10-19/h6-13,17H,14-15H2,1-5H3,(H,27,31)(H,28,33)/b21-13+.
What are the key properties of 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide?
2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 446.55 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 50858651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).