(4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione

C44H48N4O6 — CID 159055026

IUPAC(4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione
SMILESCC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21.CC1CC(C)(C)N(C(=O)CN2C(=O)C/C=C\C=C/CC2=O)C2C=CC=CC12
InChIInChI=1S/C22H20N2O3.C22H28N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27;1-16-14-22(2,3)24(18-11-9-8-10-17(16)18)21(27)15-23-19(25)12-6-4-5-7-13-20(23)26/h4-12H,13H2,1-3H3;4-11,16-18H,12-15H2,1-3H3/b;6-4-,7-5-
InChIKeyJXTCFDCYHSNUJK-WRFMUYTLSA-N
MW728.89 g/mol
LogP6.52
Rot. Bonds4

About (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione

(4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione (PubChem CID 159055026) has the molecular formula C44H48N4O6 and a molecular weight of 728.89 g/mol. Its IUPAC name is (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name(4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione
PubChem CID159055026
Molecular FormulaC44H48N4O6
Molecular Weight728.89 g/mol
Exact Mass728.36
IUPAC Name(4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione
SMILESCC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21.CC1CC(C)(C)N(C(=O)CN2C(=O)C/C=C\C=C/CC2=O)C2C=CC=CC12
InChIInChI=1S/C22H20N2O3.C22H28N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27;1-16-14-22(2,3)24(18-11-9-8-10-17(16)18)21(27)15-23-19(25)12-6-4-5-7-13-20(23)26/h4-12H,13H2,1-3H3;4-11,16-18H,12-15H2,1-3H3/b;6-4-,7-5-
InChIKeyJXTCFDCYHSNUJK-WRFMUYTLSA-N
XLogP6.52
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.89
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione (CID 159055026) is (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione is CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21.CC1CC(C)(C)N(C(=O)CN2C(=O)C/C=C\C=C/CC2=O)C2C=CC=CC12.
What is the InChIKey of (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione?
The InChIKey is JXTCFDCYHSNUJK-WRFMUYTLSA-N. The full InChI is InChI=1S/C22H20N2O3.C22H28N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27;1-16-14-22(2,3)24(18-11-9-8-10-17(16)18)21(27)15-23-19(25)12-6-4-5-7-13-20(23)26/h4-12H,13H2,1-3H3;4-11,16-18H,12-15H2,1-3H3/b;6-4-,7-5-.
What are the key properties of (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione?
(4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione has a molecular weight of 728.89 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-1-[2-oxo-2-(2,2,4-trimethyl-3,4,4a,8a-tetrahydroquinolin-1-yl)ethyl]-3,8-dihydroazonine-2,9-dione;2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 159055026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).