ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one

C26H36N2O — CID 143822837

About ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one

ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one (PubChem CID 143822837) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one.

Molecular Properties

• Compound Name: ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one
• PubChem CID: 143822837
• Molecular Formula: C26H36N2O
• Molecular Weight: 392.59 g/mol
• Exact Mass: 392.28
• IUPAC Name: ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one
• SMILES: CC.Cc1ccc(CCC2C(=O)CN(C)C2c2ccc3c(c2)CCCN3C)cc1
• InChI: InChI=1S/C24H30N2O.C2H6/c1-17-6-8-18(9-7-17)10-12-21-23(27)16-26(3)24(21)20-11-13-22-19(15-20)5-4-14-25(22)2;1-2/h6-9,11,13,15,21,24H,4-5,10,12,14,16H2,1-3H3;1-2H3
• InChIKey: VYJPMDMIMRYHIK-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 23.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.59
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one?

The IUPAC name of ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one (CID 143822837) is ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one.

What is the SMILES notation for ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one?

The canonical SMILES for ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one is CC.Cc1ccc(CCC2C(=O)CN(C)C2c2ccc3c(c2)CCCN3C)cc1.

What is the InChIKey of ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one?

The InChIKey is VYJPMDMIMRYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O.C2H6/c1-17-6-8-18(9-7-17)10-12-21-23(27)16-26(3)24(21)20-11-13-22-19(15-20)5-4-14-25(22)2;1-2/h6-9,11,13,15,21,24H,4-5,10,12,14,16H2,1-3H3;1-2H3.

What are the key properties of ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one?

ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one has a molecular weight of 392.59 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4-[2-(4-methylphenyl)ethyl]pyrrolidin-3-one is sourced from PubChem (CID 143822837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).