7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one

C24H29Cl2N3O2 — CID 122694518

About 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 122694518) has the molecular formula C24H29Cl2N3O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 122694518
• Molecular Formula: C24H29Cl2N3O2
• Molecular Weight: 462.42 g/mol
• Exact Mass: 461.16
• IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one
• SMILES: Cc1c(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2c1NC(=O)CC2
• InChI: InChI=1S/C24H29Cl2N3O2/c1-17-21(9-7-18-8-10-22(30)27-24(17)18)31-16-3-2-11-28-12-14-29(15-13-28)20-6-4-5-19(25)23(20)26/h4-7,9H,2-3,8,10-16H2,1H3,(H,27,30)
• InChIKey: HFAOMUXDASGXHJ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.42
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one (CID 122694518) is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1c(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2c1NC(=O)CC2.

What is the InChIKey of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is HFAOMUXDASGXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O2/c1-17-21(9-7-18-8-10-22(30)27-24(17)18)31-16-3-2-11-28-12-14-29(15-13-28)20-6-4-5-19(25)23(20)26/h4-7,9H,2-3,8,10-16H2,1H3,(H,27,30).

What are the key properties of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one?

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 462.42 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 122694518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).