(5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione

C25H28ClN3O2 — CID 132671399

About (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 132671399) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
• PubChem CID: 132671399
• Molecular Formula: C25H28ClN3O2
• Molecular Weight: 437.97 g/mol
• Exact Mass: 437.19
• IUPAC Name: (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
• SMILES: CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2C(C)CC1(C)C
• InChI: InChI=1S/C25H28ClN3O2/c1-5-29-22-11-8-18(12-20(22)16(2)14-25(29,3)4)13-21-23(30)28(24(31)27-21)15-17-6-9-19(26)10-7-17/h6-13,16H,5,14-15H2,1-4H3,(H,27,31)/b21-13-
• InChIKey: QDZVGQAJGZDBJU-BKUYFWCQSA-N
• XLogP: 5.55
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.97
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione (CID 132671399) is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione?

The canonical SMILES for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione is CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2C(C)CC1(C)C.

What is the InChIKey of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione?

The InChIKey is QDZVGQAJGZDBJU-BKUYFWCQSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-5-29-22-11-8-18(12-20(22)16(2)14-25(29,3)4)13-21-23(30)28(24(31)27-21)15-17-6-9-19(26)10-7-17/h6-13,16H,5,14-15H2,1-4H3,(H,27,31)/b21-13-.

What are the key properties of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione?

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 437.97 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 132671399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).