7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one

C24H29Cl2N3O2 — CID 171647773

About 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one

7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171647773) has the molecular formula C24H29Cl2N3O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 171647773
• Molecular Formula: C24H29Cl2N3O2
• Molecular Weight: 462.42 g/mol
• Exact Mass: 461.16
• IUPAC Name: 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
• SMILES: O=C1CCc2ccc(OCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
• InChI: InChI=1S/C24H29Cl2N3O2/c25-20-5-4-6-22(24(20)26)29-14-12-28(13-15-29)11-2-1-3-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h4-7,9,17H,1-3,8,10-16H2,(H,27,30)
• InChIKey: MJVBKTRBLIHLHN-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.42
LogP ≤ 5	5.25
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-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one (CID 171647773) is 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1.

What is the InChIKey of 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is MJVBKTRBLIHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O2/c25-20-5-4-6-22(24(20)26)29-14-12-28(13-15-29)11-2-1-3-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h4-7,9,17H,1-3,8,10-16H2,(H,27,30).

What are the key properties of 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one?

7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 462.42 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171647773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).