(3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one

C24H28N2O — CID 58795373

About (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one

(3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one (PubChem CID 58795373) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one.

Molecular Properties

• Compound Name: (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one
• PubChem CID: 58795373
• Molecular Formula: C24H28N2O
• Molecular Weight: 360.50 g/mol
• Exact Mass: 360.22
• IUPAC Name: (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one
• SMILES: CCN1C(=O)/C(=C\c2ccc3c(c2)C(C)CC(C)(C)N3C)c2ccccc21
• InChI: InChI=1S/C24H28N2O/c1-6-26-22-10-8-7-9-18(22)20(23(26)27)14-17-11-12-21-19(13-17)16(2)15-24(3,4)25(21)5/h7-14,16H,6,15H2,1-5H3/b20-14-
• InChIKey: AXSXOIPJGHHDMP-ZHZULCJRSA-N
• XLogP: 5.32
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.50
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one?

The IUPAC name of (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one (CID 58795373) is (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one.

What is the SMILES notation for (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one?

The canonical SMILES for (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one is CCN1C(=O)/C(=C\c2ccc3c(c2)C(C)CC(C)(C)N3C)c2ccccc21.

What is the InChIKey of (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one?

The InChIKey is AXSXOIPJGHHDMP-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H28N2O/c1-6-26-22-10-8-7-9-18(22)20(23(26)27)14-17-11-12-21-19(13-17)16(2)15-24(3,4)25(21)5/h7-14,16H,6,15H2,1-5H3/b20-14-.

What are the key properties of (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one?

(3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one has a molecular weight of 360.50 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one is sourced from PubChem (CID 58795373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).