bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)

C189H204Cl2FN9O5 — CID 159368347

IUPACbis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)
SMILESCC(CCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CCC(CCCc1cccc2cccnc12)c1ccccc1OC.COc1ccccc1C(C)C(C)CCc1cccc2cccnc12.COc1ccccc1C(C)C(F)CCc1cccc2cccnc12.COc1ccccc1C(C)CCCc1cccc2cccnc12.COc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12
InChIInChI=1S/2C22H25NO.C21H22FNO.2C21H23NO.2C21H23N.2C20H20ClN/c1-16(17(2)20-11-4-5-12-21(20)24-3)13-14-19-9-6-8-18-10-7-15-23-22(18)19;1-3-17(20-14-4-5-15-21(20)24-2)9-6-10-18-11-7-12-19-13-8-16-23-22(18)19;1-15(18-10-3-4-11-20(18)24-2)19(22)13-12-17-8-5-7-16-9-6-14-23-21(16)17;2*1-16(19-13-3-4-14-20(19)23-2)8-5-9-17-10-6-11-18-12-7-15-22-21(17)18;2*1-16-8-3-4-14-20(16)17(2)9-5-10-18-11-6-12-19-13-7-15-22-21(18)19;2*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/h4-12,15-17H,13-14H2,1-3H3;4-5,7-8,11-17H,3,6,9-10H2,1-2H3;3-11,14-15,19H,12-13H2,1-2H3;2*3-4,6-7,10-16H,5,8-9H2,1-2H3;2*3-4,6-8,11-15,17H,5,9-10H2,1-2H3;2*2-3,5-6,9-15H,4,7-8H2,1H3
InChIKeyLJKLTRLEGWIZKR-UHFFFAOYSA-N
MW2771.67 g/mol
LogP50.80
Rot. Bonds51

About bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)

bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline) (PubChem CID 159368347) has the molecular formula C189H204Cl2FN9O5 and a molecular weight of 2771.67 g/mol. Its IUPAC name is bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline).

Molecular Properties

Compound Namebis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)
PubChem CID159368347
Molecular FormulaC189H204Cl2FN9O5
Molecular Weight2771.67 g/mol
Exact Mass2768.53
IUPAC Namebis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)
SMILESCC(CCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CCC(CCCc1cccc2cccnc12)c1ccccc1OC.COc1ccccc1C(C)C(C)CCc1cccc2cccnc12.COc1ccccc1C(C)C(F)CCc1cccc2cccnc12.COc1ccccc1C(C)CCCc1cccc2cccnc12.COc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12
InChIInChI=1S/2C22H25NO.C21H22FNO.2C21H23NO.2C21H23N.2C20H20ClN/c1-16(17(2)20-11-4-5-12-21(20)24-3)13-14-19-9-6-8-18-10-7-15-23-22(18)19;1-3-17(20-14-4-5-15-21(20)24-2)9-6-10-18-11-7-12-19-13-8-16-23-22(18)19;1-15(18-10-3-4-11-20(18)24-2)19(22)13-12-17-8-5-7-16-9-6-14-23-21(16)17;2*1-16(19-13-3-4-14-20(19)23-2)8-5-9-17-10-6-11-18-12-7-15-22-21(17)18;2*1-16-8-3-4-14-20(16)17(2)9-5-10-18-11-6-12-19-13-7-15-22-21(18)19;2*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/h4-12,15-17H,13-14H2,1-3H3;4-5,7-8,11-17H,3,6,9-10H2,1-2H3;3-11,14-15,19H,12-13H2,1-2H3;2*3-4,6-7,10-16H,5,8-9H2,1-2H3;2*3-4,6-8,11-15,17H,5,9-10H2,1-2H3;2*2-3,5-6,9-15H,4,7-8H2,1H3
InChIKeyLJKLTRLEGWIZKR-UHFFFAOYSA-N
XLogP50.80
TPSA162.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds51
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002771.67
LogP ≤ 550.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline) with MolForge

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Related Compounds

Tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)
CID 139103622
7-Chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
CID 123190620
4-[2-Chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline
CID 141343991
5-Chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157474227
8-Chloro-6-methylquinoline;2,4-dimethylquinoline;6,8-dimethylquinoline;8-methoxy-6-methylquinoline;5-methylquinoline;6-methylquinoline;6-methyl-8-(trifluoromethyl)quinoline
CID 158273275
7-Chloro-3-methyl-8-propan-2-ylquinoline;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);1-fluoro-2-methyl-3-propan-2-ylbenzene;bis(1-fluoro-3-methyl-2-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158528158
CID 158718040
CID 158718040
1-Chloro-4-fluoro-2-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methylpropylbenzene;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158871100
3-Chloro-2-propan-2-ylpyridine;1-(difluoromethoxy)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 158887047
Bis(1-tert-butyl-2-chlorobenzene);1-tert-butyl-3-chlorobenzene;1-tert-butyl-2-chloro-3-methylbenzene;5-tert-butyl-4-chloro-2-methylpyridine;1-tert-butyl-3-cyclopropylbenzene;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;3-tert-butyl-1-fluoro-2,4-dimethylbenzene;3-tert-butyl-5-fluoro-2,6-dimethylpyridine;3-tert-butyl-5-(1-fluoroethyl)pyridine;1-tert-butyl-2-fluoro-3-methylbenzene;2-tert-butyl-1-fluoro-3-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;5-tert-butyl-4-fluoro-2-methylpyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 159214045
1,3-Dichloro-2-(3,3-dimethylbutyl)benzene;1,3-dichloro-2-(2,2-dimethylpropyl)benzene;1,3-dimethoxy-2-(3-methylbutyl)benzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-1,3-difluorobenzene;2-(3,3-dimethylbutyl)-1,3-dimethylbenzene;1-(3,3-dimethylbutyl)-2-methoxybenzene;1-(3,3-dimethylbutyl)-2-methylbenzene;2-(3,3-dimethylbutyl)-1-methyl-3-(trifluoromethyl)benzene;2-(3,3-dimethylbutyl)pyridine;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-1,3-difluorobenzene;2-(2,2-dimethylpropyl)-1,3-dimethoxybenzene;2-(2,2-dimethylpropyl)-1,3-dimethylbenzene;2-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)benzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;2-(2-methylpropyl)pyridine
CID 159224454
(3S,4R)-1-benzyl-3-fluoro-4-(isocyanomethyl)-4-propan-2-ylpiperidine;(3R,4R)-1-benzyl-3-fluoro-4-(isocyanomethyl)-4-propan-2-ylpiperidine;4-tert-butyl-1-[(3-chloro-4-phenylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(3-methoxy-4-phenylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(3-methyl-4-phenylphenyl)methyl]piperidine;5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-phenylbenzonitrile;4-[4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]phenyl]pyridine;5-[[4-(isocyanomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]pyridine
CID 159531149

Frequently Asked Questions

What is the IUPAC name of bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)?
The IUPAC name of bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline) (CID 159368347) is bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline).
What is the SMILES notation for bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)?
The canonical SMILES for bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline) is CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CCC(CCCc1cccc2cccnc12)c1ccccc1OC.COc1ccccc1C(C)C(C)CCc1cccc2cccnc12.COc1ccccc1C(C)C(F)CCc1cccc2cccnc12.COc1ccccc1C(C)CCCc1cccc2cccnc12.COc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.
What is the InChIKey of bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)?
The InChIKey is LJKLTRLEGWIZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25NO.C21H22FNO.2C21H23NO.2C21H23N.2C20H20ClN/c1-16(17(2)20-11-4-5-12-21(20)24-3)13-14-19-9-6-8-18-10-7-15-23-22(18)19;1-3-17(20-14-4-5-15-21(20)24-2)9-6-10-18-11-7-12-19-13-8-16-23-22(18)19;1-15(18-10-3-4-11-20(18)24-2)19(22)13-12-17-8-5-7-16-9-6-14-23-21(16)17;2*1-16(19-13-3-4-14-20(19)23-2)8-5-9-17-10-6-11-18-12-7-15-22-21(17)18;2*1-16-8-3-4-14-20(16)17(2)9-5-10-18-11-6-12-19-13-7-15-22-21(18)19;2*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/h4-12,15-17H,13-14H2,1-3H3;4-5,7-8,11-17H,3,6,9-10H2,1-2H3;3-11,14-15,19H,12-13H2,1-2H3;2*3-4,6-7,10-16H,5,8-9H2,1-2H3;2*3-4,6-8,11-15,17H,5,9-10H2,1-2H3;2*2-3,5-6,9-15H,4,7-8H2,1H3.
What are the key properties of bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)?
bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline) has a molecular weight of 2771.67 g/mol, XLogP of 50.80, 51 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline) is sourced from PubChem (CID 159368347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).