[7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate

C68H74Cl4N8O6 — CID 123679029

About [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate

[7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate (PubChem CID 123679029) has the molecular formula C68H74Cl4N8O6 and a molecular weight of 1241.20 g/mol. Its IUPAC name is [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate.

Molecular Properties

• Compound Name: [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate
• PubChem CID: 123679029
• Molecular Formula: C68H74Cl4N8O6
• Molecular Weight: 1241.20 g/mol
• Exact Mass: 1238.45
• IUPAC Name: [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate
• SMILES: CCCN(CCC)C(=O)Oc1ccc2ccc(OCC(CCN3CCN(c4cccc(Cl)c4Cl)CC3)c3cccc(CN(Cc4ccccc4)C(=O)Oc4ccc5ccc(OCCCCN6CCN(c7cccc(Cl)c7Cl)CC6)cc5n4)c3)cc2n1
• InChI: InChI=1S/C68H74Cl4N8O6/c1-3-30-79(31-4-2)67(81)85-63-27-23-52-22-26-56(45-60(52)74-63)84-48-54(29-33-76-36-40-78(41-37-76)62-20-12-18-58(70)66(62)72)53-16-10-15-50(43-53)47-80(46-49-13-6-5-7-14-49)68(82)86-64-28-24-51-21-25-55(44-59(51)73-64)83-42-9-8-32-75-34-38-77(39-35-75)61-19-11-17-57(69)65(61)71/h5-7,10-28,43-45,54H,3-4,8-9,29-42,46-48H2,1-2H3
• InChIKey: FFZNGYDAZWLTSZ-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 116.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1241.20
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate?

The IUPAC name of [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate (CID 123679029) is [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate.

What is the SMILES notation for [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate?

The canonical SMILES for [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate is CCCN(CCC)C(=O)Oc1ccc2ccc(OCC(CCN3CCN(c4cccc(Cl)c4Cl)CC3)c3cccc(CN(Cc4ccccc4)C(=O)Oc4ccc5ccc(OCCCCN6CCN(c7cccc(Cl)c7Cl)CC6)cc5n4)c3)cc2n1.

What is the InChIKey of [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate?

The InChIKey is FFZNGYDAZWLTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H74Cl4N8O6/c1-3-30-79(31-4-2)67(81)85-63-27-23-52-22-26-56(45-60(52)74-63)84-48-54(29-33-76-36-40-78(41-37-76)62-20-12-18-58(70)66(62)72)53-16-10-15-50(43-53)47-80(46-49-13-6-5-7-14-49)68(82)86-64-28-24-51-21-25-55(44-59(51)73-64)83-42-9-8-32-75-34-38-77(39-35-75)61-19-11-17-57(69)65(61)71/h5-7,10-28,43-45,54H,3-4,8-9,29-42,46-48H2,1-2H3.

What are the key properties of [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate?

[7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate has a molecular weight of 1241.20 g/mol, XLogP of 15.57, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[2-[3-[[benzyl-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl]oxycarbonylamino]methyl]phenyl]-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N,N-dipropylcarbamate is sourced from PubChem (CID 123679029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).