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

C59H57BrCl3N3O — CID 160943426

IUPAC5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
SMILESCC(CCCc1ccc(Br)c2cccnc12)c1ccccc1.CC(CCCc1cccc2cccnc12)c1c(Cl)cccc1Cl.CC(CCOc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C20H20BrN.C20H19Cl2N.C19H18ClNO/c1-15(16-8-3-2-4-9-16)7-5-10-17-12-13-19(21)18-11-6-14-22-20(17)18;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/h2-4,6,8-9,11-15H,5,7,10H2,1H3;3-5,8-14H,2,6-7H2,1H3;2-10,12,14H,11,13H2,1H3
InChIKeySUUORBCYLAMDGK-UHFFFAOYSA-N
MW1010.39 g/mol
LogP18.25
Rot. Bonds15

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

5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline (PubChem CID 160943426) has the molecular formula C59H57BrCl3N3O and a molecular weight of 1010.39 g/mol. Its IUPAC name is 5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline.

Molecular Properties

Compound Name5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
PubChem CID160943426
Molecular FormulaC59H57BrCl3N3O
Molecular Weight1010.39 g/mol
Exact Mass1007.28
IUPAC Name5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline
SMILESCC(CCCc1ccc(Br)c2cccnc12)c1ccccc1.CC(CCCc1cccc2cccnc12)c1c(Cl)cccc1Cl.CC(CCOc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C20H20BrN.C20H19Cl2N.C19H18ClNO/c1-15(16-8-3-2-4-9-16)7-5-10-17-12-13-19(21)18-11-6-14-22-20(17)18;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/h2-4,6,8-9,11-15H,5,7,10H2,1H3;3-5,8-14H,2,6-7H2,1H3;2-10,12,14H,11,13H2,1H3
InChIKeySUUORBCYLAMDGK-UHFFFAOYSA-N
XLogP18.25
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.39
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
CID 76327210
8-[[3,5-Bis[(5-chloroquinolin-8-yl)oxymethyl]-2,4,6-trimethylphenyl]methoxy]-5-chloroquinoline
CID 90889596
4-Bromo-8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinoline
CID 67077234
6-[Bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline
CID 118324072
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-(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
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
5,7-Dibromo-8-[(2-chloro-5-methoxyphenyl)methoxy]quinoline
CID 1867129
3-Bromo-2-[(5-chloroquinolin-8-yl)oxymethyl]aniline
CID 43349768

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?
The IUPAC name of 5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline (CID 160943426) is 5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline.
What is the SMILES notation for 5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?
The canonical SMILES for 5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline is CC(CCCc1ccc(Br)c2cccnc12)c1ccccc1.CC(CCCc1cccc2cccnc12)c1c(Cl)cccc1Cl.CC(CCOc1cccc2cccnc12)c1ccccc1Cl.
What is the InChIKey of 5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?
The InChIKey is SUUORBCYLAMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN.C20H19Cl2N.C19H18ClNO/c1-15(16-8-3-2-4-9-16)7-5-10-17-12-13-19(21)18-11-6-14-22-20(17)18;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/h2-4,6,8-9,11-15H,5,7,10H2,1H3;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-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline?
5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline has a molecular weight of 1010.39 g/mol, XLogP of 18.25, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(4-phenylpentyl)quinoline;8-[3-(2-chlorophenyl)butoxy]quinoline;8-[4-(2,6-dichlorophenyl)pentyl]quinoline is sourced from PubChem (CID 160943426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).