5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline

C100H98Br2Cl5N5O — CID 159716879

About 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline

5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline (PubChem CID 159716879) has the molecular formula C100H98Br2Cl5N5O and a molecular weight of 1722.99 g/mol. Its IUPAC name is 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline.

Molecular Properties

• Compound Name: 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
• PubChem CID: 159716879
• Molecular Formula: C100H98Br2Cl5N5O
• Molecular Weight: 1722.99 g/mol
• Exact Mass: 1717.46
• IUPAC Name: 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
• SMILES: CC(CCCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1ccc(Br)c2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1c(Cl)cccc1Cl.CC(CCCc1cccc2cccnc12)c1ccccc1Br.CC(CCOc1cccc2cccnc12)c1ccccc1Cl
• InChI: InChI=1S/C21H22ClN.C20H19BrClN.C20H20BrN.C20H19Cl2N.C19H18ClNO/c1-16(19-13-4-5-14-20(19)22)8-2-3-9-17-10-6-11-18-12-7-15-23-21(17)18;1-14(16-8-2-3-10-19(16)22)6-4-7-15-11-12-18(21)17-9-5-13-23-20(15)17;1-15(18-12-2-3-13-19(18)21)7-4-8-16-9-5-10-17-11-6-14-22-20(16)17;1-14(19-17(21)11-4-12-18(19)22)6-2-7-15-8-3-9-16-10-5-13-23-20(15)16;1-14(16-8-2-3-9-17(16)20)11-13-22-18-10-4-6-15-7-5-12-21-19(15)18/h4-7,10-16H,2-3,8-9H2,1H3;2-3,5,8-14H,4,6-7H2,1H3;2-3,5-6,9-15H,4,7-8H2,1H3;3-5,8-14H,2,6-7H2,1H3;2-10,12,14H,11,13H2,1H3
• InChIKey: MZNTUDXXRMQQDI-UHFFFAOYSA-N
• XLogP: 31.43
• TPSA: 73.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1722.99
LogP ≤ 5	31.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?

The IUPAC name of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline (CID 159716879) is 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline.

What is the SMILES notation for 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?

The canonical SMILES for 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline is CC(CCCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1ccc(Br)c2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1c(Cl)cccc1Cl.CC(CCCc1cccc2cccnc12)c1ccccc1Br.CC(CCOc1cccc2cccnc12)c1ccccc1Cl.

What is the InChIKey of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?

The InChIKey is MZNTUDXXRMQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN.C20H19BrClN.C20H20BrN.C20H19Cl2N.C19H18ClNO/c1-16(19-13-4-5-14-20(19)22)8-2-3-9-17-10-6-11-18-12-7-15-23-21(17)18;1-14(16-8-2-3-10-19(16)22)6-4-7-15-11-12-18(21)17-9-5-13-23-20(15)17;1-15(18-12-2-3-13-19(18)21)7-4-8-16-9-5-10-17-11-6-14-22-20(16)17;1-14(19-17(21)11-4-12-18(19)22)6-2-7-15-8-3-9-16-10-5-13-23-20(15)16;1-14(16-8-2-3-9-17(16)20)11-13-22-18-10-4-6-15-7-5-12-21-19(15)18/h4-7,10-16H,2-3,8-9H2,1H3;2-3,5,8-14H,4,6-7H2,1H3;2-3,5-6,9-15H,4,7-8H2,1H3;3-5,8-14H,2,6-7H2,1H3;2-10,12,14H,11,13H2,1H3.

What are the key properties of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?

5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline has a molecular weight of 1722.99 g/mol, XLogP of 31.43, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[4-(2-bromophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline is sourced from PubChem (CID 159716879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).