5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline

C100H99BrCl6N6O — CID 159058681

IUPAC5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline
SMILESCC(CCC(=O)Cc1cccc2cccnc12)c1ccccc1Cl.CC(CCCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1ccc(Br)c2cccnc12)c1ccccc1Cl.CC(CCc1cccc2[nH]ccc12)c1ccccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20ClNO.C21H22ClN.C20H19BrClN.C20H20Cl2N2.C18H18ClN/c1-15(19-9-2-3-10-20(19)22)11-12-18(24)14-17-7-4-6-16-8-5-13-23-21(16)17;1-16(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;1-13(14(2)17-9-8-16(21)12-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-13(15-6-2-3-7-17(15)19)9-10-14-5-4-8-18-16(14)11-12-20-18/h2-10,13,15H,11-12,14H2,1H3;4-7,10-16H,2-3,8-9H2,1H3;2-3,5,8-14H,4,6-7H2,1H3;3-5,8-14H,6-7H2,1-2H3;2-8,11-13,20H,9-10H2,1H3
InChIKeyJYELFMKOQIPAER-UHFFFAOYSA-N
MW1693.55 g/mol
LogP30.63
Rot. Bonds26

About 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline

5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline (PubChem CID 159058681) has the molecular formula C100H99BrCl6N6O and a molecular weight of 1693.55 g/mol. Its IUPAC name is 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline.

Molecular Properties

Compound Name5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline
PubChem CID159058681
Molecular FormulaC100H99BrCl6N6O
Molecular Weight1693.55 g/mol
Exact Mass1688.52
IUPAC Name5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline
SMILESCC(CCC(=O)Cc1cccc2cccnc12)c1ccccc1Cl.CC(CCCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1ccc(Br)c2cccnc12)c1ccccc1Cl.CC(CCc1cccc2[nH]ccc12)c1ccccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20ClNO.C21H22ClN.C20H19BrClN.C20H20Cl2N2.C18H18ClN/c1-15(19-9-2-3-10-20(19)22)11-12-18(24)14-17-7-4-6-16-8-5-13-23-21(16)17;1-16(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;1-13(14(2)17-9-8-16(21)12-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-13(15-6-2-3-7-17(15)19)9-10-14-5-4-8-18-16(14)11-12-20-18/h2-10,13,15H,11-12,14H2,1H3;4-7,10-16H,2-3,8-9H2,1H3;2-3,5,8-14H,4,6-7H2,1H3;3-5,8-14H,6-7H2,1-2H3;2-8,11-13,20H,9-10H2,1H3
InChIKeyJYELFMKOQIPAER-UHFFFAOYSA-N
XLogP30.63
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001693.55
LogP ≤ 530.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline with MolForge

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Related Compounds

4-(5-bromo-2-methylphenyl)-1-quinolin-8-ylpentan-2-one;8-[4-(2-bromophenyl)pentyl]quinoline;8-[4-(2-chlorophenyl)pentyl]quinoline;bis(4-(2-chlorophenyl)-1-quinolin-8-ylpentan-2-one);4-[4-(2-methylphenyl)pentyl]-1H-indole;1-[4-(2-methylphenyl)pentyl]naphthalene;8-[4-(2-methylphenyl)pentyl]quinoline;5-[4-(2-methylphenyl)pentyl]quinoxaline
CID 157891768
5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;4-[3-(2-chlorophenyl)butyl]-1H-indole;5-[3-(2-chlorophenyl)butyl]quinoxaline;8-[5-(2-chlorophenyl)hexyl]quinoline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline
CID 160647539

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline?
The IUPAC name of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline (CID 159058681) is 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline.
What is the SMILES notation for 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline?
The canonical SMILES for 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline is CC(CCC(=O)Cc1cccc2cccnc12)c1ccccc1Cl.CC(CCCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1ccc(Br)c2cccnc12)c1ccccc1Cl.CC(CCc1cccc2[nH]ccc12)c1ccccc1Cl.CC(CCc1cccc2nccnc12)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline?
The InChIKey is JYELFMKOQIPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO.C21H22ClN.C20H19BrClN.C20H20Cl2N2.C18H18ClN/c1-15(19-9-2-3-10-20(19)22)11-12-18(24)14-17-7-4-6-16-8-5-13-23-21(16)17;1-16(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;1-13(14(2)17-9-8-16(21)12-18(17)22)6-7-15-4-3-5-19-20(15)24-11-10-23-19;1-13(15-6-2-3-7-17(15)19)9-10-14-5-4-8-18-16(14)11-12-20-18/h2-10,13,15H,11-12,14H2,1H3;4-7,10-16H,2-3,8-9H2,1H3;2-3,5,8-14H,4,6-7H2,1H3;3-5,8-14H,6-7H2,1-2H3;2-8,11-13,20H,9-10H2,1H3.
What are the key properties of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline?
5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline has a molecular weight of 1693.55 g/mol, XLogP of 30.63, 26 rotatable bonds, 1 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;4-[3-(2-chlorophenyl)butyl]-1H-indole;8-[5-(2-chlorophenyl)hexyl]quinoline;5-(2-chlorophenyl)-1-quinolin-8-ylhexan-2-one;5-[4-(2,4-dichlorophenyl)-3-methylpentyl]quinoxaline is sourced from PubChem (CID 159058681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).