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)

C209H224BrCl2FN10O — CID 159612226

IUPAC8-[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)
SMILESCC(CCCc1cccc2cccnc12)c1ccccc1Br.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CCC(CCCc1cccc2cccnc12)c1ccccc1OC.Cc1ccccc1C(C)C(C)CCc1cccc2cccnc12.Cc1ccccc1C(C)C(F)CCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12
InChIInChI=1S/C22H25NO.C22H25N.C21H22FN.4C21H23N.C20H20BrN.2C20H20ClN/c1-3-17(20-14-4-5-15-21(20)24-2)9-6-10-18-11-7-12-19-13-8-16-23-22(18)19;1-16(18(3)21-12-5-4-8-17(21)2)13-14-20-10-6-9-19-11-7-15-23-22(19)20;1-15-7-3-4-11-19(15)16(2)20(22)13-12-18-9-5-8-17-10-6-14-23-21(17)18;4*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;3*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/h4-5,7-8,11-17H,3,6,9-10H2,1-2H3;4-12,15-16,18H,13-14H2,1-3H3;3-11,14,16,20H,12-13H2,1-2H3;4*3-4,6-8,11-15,17H,5,9-10H2,1-2H3;3*2-3,5-6,9-15H,4,7-8H2,1H3
InChIKeyMMVNRXQDEKPNTI-UHFFFAOYSA-N
MW3061.97 g/mol
LogP58.12
Rot. Bonds52

About 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)

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) (PubChem CID 159612226) has the molecular formula C209H224BrCl2FN10O and a molecular weight of 3061.97 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name8-[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)
PubChem CID159612226
Molecular FormulaC209H224BrCl2FN10O
Molecular Weight3061.97 g/mol
Exact Mass3057.63
IUPAC Name8-[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)
SMILESCC(CCCc1cccc2cccnc12)c1ccccc1Br.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CCC(CCCc1cccc2cccnc12)c1ccccc1OC.Cc1ccccc1C(C)C(C)CCc1cccc2cccnc12.Cc1ccccc1C(C)C(F)CCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12
InChIInChI=1S/C22H25NO.C22H25N.C21H22FN.4C21H23N.C20H20BrN.2C20H20ClN/c1-3-17(20-14-4-5-15-21(20)24-2)9-6-10-18-11-7-12-19-13-8-16-23-22(18)19;1-16(18(3)21-12-5-4-8-17(21)2)13-14-20-10-6-9-19-11-7-15-23-22(19)20;1-15-7-3-4-11-19(15)16(2)20(22)13-12-18-9-5-8-17-10-6-14-23-21(17)18;4*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;3*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/h4-5,7-8,11-17H,3,6,9-10H2,1-2H3;4-12,15-16,18H,13-14H2,1-3H3;3-11,14,16,20H,12-13H2,1-2H3;4*3-4,6-8,11-15,17H,5,9-10H2,1-2H3;3*2-3,5-6,9-15H,4,7-8H2,1H3
InChIKeyMMVNRXQDEKPNTI-UHFFFAOYSA-N
XLogP58.12
TPSA138.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds52
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003061.97
LogP ≤ 558.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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) with MolForge

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Related Compounds

8-[3-[3-Bromo-4-[3,4-dichloro-5-(3-methylisoquinolin-1-yl)isoquinolin-1-yl]isoquinolin-1-yl]isoquinolin-1-yl]-3-fluoro-6-methoxy-7-methyl-4-quinolin-2-yl-5-(quinolin-2-ylmethyl)quinoline
CID 123493868
8-[3-[3-bromo-4-(3,4-dichloro-5-isoquinolin-1-ylisoquinolin-1-yl)isoquinolin-1-yl]isoquinolin-1-yl]-3-fluoro-6-methoxy-1,7-dimethyl-4-quinolin-2-yl-5-(quinolin-2-ylmethyl)-4H-quinoline
CID 123843464
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
4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine
CID 159513167
1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159839814
1-Bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
CID 159855696
1-Bromo-2-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexylidene)methyl]benzene;2-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;3-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;4-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;1-[(4-propan-2-ylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexylidene)methyl]benzene
CID 160141450
Anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene
CID 157260284
benzyl 4-tert-butylpiperidine-1-carboxylate;1-bromo-2-tert-butylbenzene;2-tert-butyl-6-chloropyridine;tert-butylcyclohexane;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-3-ethyl-2-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;4-tert-butyloxane;4-tert-butylquinoline;3,3-dimethylbutan-1-ol;4,4-dimethylpentanenitrile;ethyl 3,3-dimethylbutanoate;trans-(1S,2S)-2-methylcyclohexan-1-ol;2,2,4-trimethylpentane
CID 157753757
4-(5-Bromo-2-methylphenyl)-1-quinolin-8-ylpentan-2-one;8-[4-(2-chlorophenyl)pentyl]quinoline;4-(2-chlorophenyl)-1-quinolin-8-ylpentan-2-one;8-[3-fluoro-4-(2-methylphenyl)pentyl]quinoline;3-fluoro-4-(2-methylphenyl)-1-quinolin-8-ylpentan-2-one;8-[4-(2-methoxyphenyl)hexyl]quinoline;4-(2-methoxyphenyl)-1-quinolin-8-ylhexan-2-one;8-[3-methyl-4-(2-methylphenyl)pentyl]quinoline;bis(8-[4-(2-methylphenyl)pentyl]quinoline)
CID 157774976
Tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane
CID 158186665
Benzyl 4-tert-butylpiperidine-1-carboxylate;1-bromo-2-tert-butylbenzene;2-tert-butyl-6-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;(3-tert-butyl-2-methylphenyl)methanol;4-tert-butyloxane;4-tert-butylquinoline
CID 158481639

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(CCCc1cccc2cccnc12)c1ccccc1Br.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CC(CCCc1cccc2cccnc12)c1ccccc1Cl.CCC(CCCc1cccc2cccnc12)c1ccccc1OC.Cc1ccccc1C(C)C(C)CCc1cccc2cccnc12.Cc1ccccc1C(C)C(F)CCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.Cc1ccccc1C(C)CCCc1cccc2cccnc12.
What is the InChIKey of 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)?
The InChIKey is MMVNRXQDEKPNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO.C22H25N.C21H22FN.4C21H23N.C20H20BrN.2C20H20ClN/c1-3-17(20-14-4-5-15-21(20)24-2)9-6-10-18-11-7-12-19-13-8-16-23-22(18)19;1-16(18(3)21-12-5-4-8-17(21)2)13-14-20-10-6-9-19-11-7-15-23-22(19)20;1-15-7-3-4-11-19(15)16(2)20(22)13-12-18-9-5-8-17-10-6-14-23-21(17)18;4*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;3*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/h4-5,7-8,11-17H,3,6,9-10H2,1-2H3;4-12,15-16,18H,13-14H2,1-3H3;3-11,14,16,20H,12-13H2,1-2H3;4*3-4,6-8,11-15,17H,5,9-10H2,1-2H3;3*2-3,5-6,9-15H,4,7-8H2,1H3.
What are the key properties of 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)?
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) has a molecular weight of 3061.97 g/mol, XLogP of 58.12, 52 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159612226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).