5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium

C123H148F2N5+5 — CID 159924826

IUPAC5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
SMILESCc1cc(C)c(C)c(-c2ccc3c(C4CCCC4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC(C)C)c(F)c(CC(C)C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C4CCCC4)cccc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(CC(C)C)c(F)c(CC(C)C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3ccc(C4CCCC4)cc3[n+]2C)c1
InChIInChI=1S/C27H35FN.C26H33FN.C24H28N.2C23H26N/c1-16(2)11-21-15-26-22(24(27(21)28)12-17(3)4)9-10-25(29(26)8)23-14-18(5)13-19(6)20(23)7;1-16(2)12-20-15-25-21(23(26(20)27)13-17(3)4)10-11-24(28(25)7)22-14-18(5)8-9-19(22)6;1-16-14-17(2)18(3)22(15-16)24-13-12-21-20(19-8-5-6-9-19)10-7-11-23(21)25(24)4;1-16-11-12-17(2)21(15-16)23-14-13-20-19(18-7-4-5-8-18)9-6-10-22(20)24(23)3;1-16-8-9-17(2)21(14-16)22-13-12-19-10-11-20(15-23(19)24(22)3)18-6-4-5-7-18/h9-10,13-17H,11-12H2,1-8H3;8-11,14-17H,12-13H2,1-7H3;7,10-15,19H,5-6,8-9H2,1-4H3;6,9-15,18H,4-5,7-8H2,1-3H3;8-15,18H,4-7H2,1-3H3/q5*+1
InChIKeyPXRYDHHVDVMMJR-UHFFFAOYSA-N
MW1734.57 g/mol
LogP30.40
Rot. Bonds16

About 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium

5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium (PubChem CID 159924826) has the molecular formula C123H148F2N5+5 and a molecular weight of 1734.57 g/mol. Its IUPAC name is 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

Molecular Properties

Compound Name5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
PubChem CID159924826
Molecular FormulaC123H148F2N5+5
Molecular Weight1734.57 g/mol
Exact Mass1733.17
IUPAC Name5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
SMILESCc1cc(C)c(C)c(-c2ccc3c(C4CCCC4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC(C)C)c(F)c(CC(C)C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C4CCCC4)cccc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(CC(C)C)c(F)c(CC(C)C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3ccc(C4CCCC4)cc3[n+]2C)c1
InChIInChI=1S/C27H35FN.C26H33FN.C24H28N.2C23H26N/c1-16(2)11-21-15-26-22(24(27(21)28)12-17(3)4)9-10-25(29(26)8)23-14-18(5)13-19(6)20(23)7;1-16(2)12-20-15-25-21(23(26(20)27)13-17(3)4)10-11-24(28(25)7)22-14-18(5)8-9-19(22)6;1-16-14-17(2)18(3)22(15-16)24-13-12-21-20(19-8-5-6-9-19)10-7-11-23(21)25(24)4;1-16-11-12-17(2)21(15-16)23-14-13-20-19(18-7-4-5-8-18)9-6-10-22(20)24(23)3;1-16-8-9-17(2)21(14-16)22-13-12-19-10-11-20(15-23(19)24(22)3)18-6-4-5-7-18/h9-10,13-17H,11-12H2,1-8H3;8-11,14-17H,12-13H2,1-7H3;7,10-15,19H,5-6,8-9H2,1-4H3;6,9-15,18H,4-5,7-8H2,1-3H3;8-15,18H,4-7H2,1-3H3/q5*+1
InChIKeyPXRYDHHVDVMMJR-UHFFFAOYSA-N
XLogP30.40
TPSA19.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001734.57
LogP ≤ 530.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium with MolForge

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Related Compounds

5-cyclohexyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 123592244
5-cyclohexyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-6-fluoro-1-methylquinolin-1-ium;5-cyclopentyl-6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;7-cyclopentyl-6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 159814495
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium
CID 140920909
2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5-[4-[4-[1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium-7-yl]cyclohexyl]cyclohexyl]quinolin-1-ium
CID 170384578
2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 157049607
2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 161299419
5-(cyclopentylmethyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 140802339
2-(5-cyclopentyl-2-methylphenyl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium
CID 140920841
4-cyclopentyl-1,6-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501264
5-cyclopentyl-1-methyl-2-(4-methylphenanthren-3-yl)quinolin-1-ium
CID 170405655
5-cyclopentyl-6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 123368577
1-methyl-5-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;bis(1,4,5-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium)
CID 159416802

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The IUPAC name of 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium (CID 159924826) is 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium.
What is the SMILES notation for 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The canonical SMILES for 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium is Cc1cc(C)c(C)c(-c2ccc3c(C4CCCC4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(CC(C)C)c(F)c(CC(C)C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C4CCCC4)cccc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(CC(C)C)c(F)c(CC(C)C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3ccc(C4CCCC4)cc3[n+]2C)c1.
What is the InChIKey of 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
The InChIKey is PXRYDHHVDVMMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN.C26H33FN.C24H28N.2C23H26N/c1-16(2)11-21-15-26-22(24(27(21)28)12-17(3)4)9-10-25(29(26)8)23-14-18(5)13-19(6)20(23)7;1-16(2)12-20-15-25-21(23(26(20)27)13-17(3)4)10-11-24(28(25)7)22-14-18(5)8-9-19(22)6;1-16-14-17(2)18(3)22(15-16)24-13-12-21-20(19-8-5-6-9-19)10-7-11-23(21)25(24)4;1-16-11-12-17(2)21(15-16)23-14-13-20-19(18-7-4-5-8-18)9-6-10-22(20)24(23)3;1-16-8-9-17(2)21(14-16)22-13-12-19-10-11-20(15-23(19)24(22)3)18-6-4-5-7-18/h9-10,13-17H,11-12H2,1-8H3;8-11,14-17H,12-13H2,1-7H3;7,10-15,19H,5-6,8-9H2,1-4H3;6,9-15,18H,4-5,7-8H2,1-3H3;8-15,18H,4-7H2,1-3H3/q5*+1.
What are the key properties of 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?
5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium has a molecular weight of 1734.57 g/mol, XLogP of 30.40, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;7-cyclopentyl-2-(2,5-dimethylphenyl)-1-methylquinolin-1-ium;5-cyclopentyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;2-(2,5-dimethylphenyl)-6-fluoro-1-methyl-5,7-bis(2-methylpropyl)quinolin-1-ium;6-fluoro-1-methyl-5,7-bis(2-methylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium is sourced from PubChem (CID 159924826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).