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

C80H78BrCl5N4O — CID 160866444

IUPAC5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
SMILESCC(CCCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1ccc(Br)c2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1c(Cl)cccc1Cl.CC(CCOc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C21H22ClN.C20H19BrClN.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;1-14(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;3-5,8-14H,2,6-7H2,1H3;2-10,12,14H,11,13H2,1H3
InChIKeySLEGCDLQGHPLNM-UHFFFAOYSA-N
MW1368.70 g/mol
LogP25.31
Rot. Bonds21

About 5-bromo-8-[4-(2-chlorophenyl)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-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline (PubChem CID 160866444) has the molecular formula C80H78BrCl5N4O and a molecular weight of 1368.70 g/mol. Its IUPAC name is 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline.

Molecular Properties

Compound Name5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
PubChem CID160866444
Molecular FormulaC80H78BrCl5N4O
Molecular Weight1368.70 g/mol
Exact Mass1364.38
IUPAC Name5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
SMILESCC(CCCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1ccc(Br)c2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1c(Cl)cccc1Cl.CC(CCOc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C21H22ClN.C20H19BrClN.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;1-14(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;3-5,8-14H,2,6-7H2,1H3;2-10,12,14H,11,13H2,1H3
InChIKeySLEGCDLQGHPLNM-UHFFFAOYSA-N
XLogP25.31
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001368.70
LogP ≤ 525.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

8-[[3,5-Bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline
CID 90889596
5-Chloro-8-[[2,4,5-tris[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
CID 101429303
4-Bromo-8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinoline
CID 67077234
6-[Bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline
CID 118324072
N-[(E)-2-[4,6-dichloro-5-[[4-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]prop-1-enyl]-8-[(2,4-dichloro-3-pyridinyl)methoxy]-N-ethenyl-2-methylquinolin-4-amine
CID 145481000
8-[4-(2-Bromophenyl)pentyl]quinoline;bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methylphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[3-methyl-4-(2-methylphenyl)pentyl]quinoline;tetrakis(8-[4-(2-methylphenyl)pentyl]quinoline)
CID 159612226
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
5-bromo-8-(4-phenylpentyl)quinoline;5-[3-(3-chloro-5-methylphenyl)butyl]quinoxaline;8-[3-(2-chlorophenyl)butoxy]quinoline;5-[3-(2-chlorophenyl)butyl]quinoxaline;4-[4-(2-chlorophenyl)-3-methylpentyl]-1H-indole;5-[3-(2,5-dichlorophenyl)butyl]quinoxaline;5-[4-(2,5-dichlorophenyl)-3-methylpentyl]quinoxaline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
CID 159751088
5-Bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
CID 160943426
7-(3-Bromo-4-piperidin-1-ylphenyl)-5-chloro-1,6-naphthyridine;5-chloro-7-(3-methoxy-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-[4-(4-methylpiperazin-1-yl)phenyl]-1,6-naphthyridine;5-chloro-7-(3-methyl-4-piperidin-1-ylphenyl)-1,6-naphthyridine;5-chloro-7-(4-piperidin-1-ylphenyl)-1,6-naphthyridine;methane
CID 161078159
4-Bromo-5-chloro-3-[3-(5-chloro-8-methoxy-4-phenylquinolin-6-yl)propyl]-8-methoxyquinoline
CID 167216596
5,7-Dibromo-8-[(2,6-dichlorophenyl)methoxy]quinoline
CID 1833785

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-[4-(2-chlorophenyl)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-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline (CID 160866444) is 5-bromo-8-[4-(2-chlorophenyl)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-[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-[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(CCOc1cccc2cccnc12)c1ccccc1Cl.
What is the InChIKey of 5-bromo-8-[4-(2-chlorophenyl)pentyl]quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?
The InChIKey is SLEGCDLQGHPLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN.C20H19BrClN.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;1-14(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;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-[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-[3-(2-chlorophenyl)butoxy]quinoline;8-[5-(2-chlorophenyl)hexyl]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline has a molecular weight of 1368.70 g/mol, XLogP of 25.31, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-[4-(2-chlorophenyl)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 160866444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).