6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline

C84H84N4 — CID 159254745

IUPAC6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline
SMILESCc1cc(C)cc(-c2ccc3cc(C4CCCC4)ccc3n2)c1.Cc1cccc(-c2ccc3cc(C4CCCC4)ccc3n2)c1.Cc1cccc(-c2ccc3ccc(C4CCCC4)cc3n2)c1.c1ccc(-c2ccc3ccc(C4CCCC4)cc3n2)cc1
InChIInChI=1S/C22H23N.2C21H21N.C20H19N/c1-15-11-16(2)13-20(12-15)22-10-8-19-14-18(7-9-21(19)23-22)17-5-3-4-6-17;1-15-5-4-8-18(13-15)20-12-10-19-14-17(9-11-21(19)22-20)16-6-2-3-7-16;1-15-5-4-8-19(13-15)20-12-11-17-9-10-18(14-21(17)22-20)16-6-2-3-7-16;1-2-8-16(9-3-1)19-13-12-17-10-11-18(14-20(17)21-19)15-6-4-5-7-15/h7-14,17H,3-6H2,1-2H3;2*4-5,8-14,16H,2-3,6-7H2,1H3;1-3,8-15H,4-7H2
InChIKeyKVTCIYSTLJJWBQ-UHFFFAOYSA-N
MW1149.62 g/mol
LogP23.47
Rot. Bonds8

About 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline

6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline (PubChem CID 159254745) has the molecular formula C84H84N4 and a molecular weight of 1149.62 g/mol. Its IUPAC name is 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline.

Molecular Properties

Compound Name6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline
PubChem CID159254745
Molecular FormulaC84H84N4
Molecular Weight1149.62 g/mol
Exact Mass1148.67
IUPAC Name6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline
SMILESCc1cc(C)cc(-c2ccc3cc(C4CCCC4)ccc3n2)c1.Cc1cccc(-c2ccc3cc(C4CCCC4)ccc3n2)c1.Cc1cccc(-c2ccc3ccc(C4CCCC4)cc3n2)c1.c1ccc(-c2ccc3ccc(C4CCCC4)cc3n2)cc1
InChIInChI=1S/C22H23N.2C21H21N.C20H19N/c1-15-11-16(2)13-20(12-15)22-10-8-19-14-18(7-9-21(19)23-22)17-5-3-4-6-17;1-15-5-4-8-18(13-15)20-12-10-19-14-17(9-11-21(19)22-20)16-6-2-3-7-16;1-15-5-4-8-19(13-15)20-12-11-17-9-10-18(14-21(17)22-20)16-6-2-3-7-16;1-2-8-16(9-3-1)19-13-12-17-10-11-18(14-20(17)21-19)15-6-4-5-7-15/h7-14,17H,3-6H2,1-2H3;2*4-5,8-14,16H,2-3,6-7H2,1H3;1-3,8-15H,4-7H2
InChIKeyKVTCIYSTLJJWBQ-UHFFFAOYSA-N
XLogP23.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.62
LogP ≤ 523.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464250
6-cyclohexyl-2-(3,5-dimethylphenyl)quinoline
CID 138464247
5-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464216
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
CID 159550728
2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
CID 172795269
4-cyclopentyl-2-(3-methylphenyl)quinoline
CID 138464462
5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
CID 138464224
5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline
CID 154960050
6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene
CID 140693393
4-cyclohexyl-2,6-diphenylpyridine
CID 13415243
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline?
The IUPAC name of 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline (CID 159254745) is 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline.
What is the SMILES notation for 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline?
The canonical SMILES for 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline is Cc1cc(C)cc(-c2ccc3cc(C4CCCC4)ccc3n2)c1.Cc1cccc(-c2ccc3cc(C4CCCC4)ccc3n2)c1.Cc1cccc(-c2ccc3ccc(C4CCCC4)cc3n2)c1.c1ccc(-c2ccc3ccc(C4CCCC4)cc3n2)cc1.
What is the InChIKey of 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline?
The InChIKey is KVTCIYSTLJJWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N.2C21H21N.C20H19N/c1-15-11-16(2)13-20(12-15)22-10-8-19-14-18(7-9-21(19)23-22)17-5-3-4-6-17;1-15-5-4-8-18(13-15)20-12-10-19-14-17(9-11-21(19)22-20)16-6-2-3-7-16;1-15-5-4-8-19(13-15)20-12-11-17-9-10-18(14-21(17)22-20)16-6-2-3-7-16;1-2-8-16(9-3-1)19-13-12-17-10-11-18(14-20(17)21-19)15-6-4-5-7-15/h7-14,17H,3-6H2,1-2H3;2*4-5,8-14,16H,2-3,6-7H2,1H3;1-3,8-15H,4-7H2.
What are the key properties of 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline?
6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline has a molecular weight of 1149.62 g/mol, XLogP of 23.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline is sourced from PubChem (CID 159254745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).