4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole

C102H82Cl2F16I3N7 — CID 162092707

IUPAC4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2cc(I)ccc21.Cc1cc(-c2nc3cc(F)ccc3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1
InChIInChI=1S/2C28H23F4IN2.2C18H12ClF4N.C10H12IN/c1-15-9-17(11-18(10-15)28(30,31)32)25-16(2)26(21-7-5-19(29)12-23(21)34-25)35-14-27(3,4)22-8-6-20(33)13-24(22)35;1-15-10-17(12-18(11-15)28(30,31)32)25-16(2)26(24-21(29)6-5-7-22(24)34-25)35-14-27(3,4)20-9-8-19(33)13-23(20)35;1-9-5-11(7-12(6-9)18(21,22)23)17-10(2)16(19)14-4-3-13(20)8-15(14)24-17;1-9-6-11(8-12(7-9)18(21,22)23)17-10(2)16(19)15-13(20)4-3-5-14(15)24-17;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h2*5-13H,14H2,1-4H3;2*3-8H,1-2H3;3-5,12H,6H2,1-2H3
InChIKeyZDVGPWSDDQOGFA-UHFFFAOYSA-N
MW2161.41 g/mol
LogP33.08
Rot. Bonds6

About 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole

4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole (PubChem CID 162092707) has the molecular formula C102H82Cl2F16I3N7 and a molecular weight of 2161.41 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
PubChem CID162092707
Molecular FormulaC102H82Cl2F16I3N7
Molecular Weight2161.41 g/mol
Exact Mass2159.29
IUPAC Name4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2cc(I)ccc21.Cc1cc(-c2nc3cc(F)ccc3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1
InChIInChI=1S/2C28H23F4IN2.2C18H12ClF4N.C10H12IN/c1-15-9-17(11-18(10-15)28(30,31)32)25-16(2)26(21-7-5-19(29)12-23(21)34-25)35-14-27(3,4)22-8-6-20(33)13-24(22)35;1-15-10-17(12-18(11-15)28(30,31)32)25-16(2)26(24-21(29)6-5-7-22(24)34-25)35-14-27(3,4)20-9-8-19(33)13-23(20)35;1-9-5-11(7-12(6-9)18(21,22)23)17-10(2)16(19)14-4-3-13(20)8-15(14)24-17;1-9-6-11(8-12(7-9)18(21,22)23)17-10(2)16(19)15-13(20)4-3-5-14(15)24-17;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h2*5-13H,14H2,1-4H3;2*3-8H,1-2H3;3-5,12H,6H2,1-2H3
InChIKeyZDVGPWSDDQOGFA-UHFFFAOYSA-N
XLogP33.08
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002161.41
LogP ≤ 533.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole with MolForge

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Related Compounds

3-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methyl-1H-indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-2-methyl-1H-indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-5-(trifluoromethyl)-1H-indole
CID 158054305
4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
CID 160939276
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(N-(4-ethylphenyl)anilino)-2-pyridinyl]propan-2-yl]-N-[2-(9-hexan-3-ylcarbazol-3-yl)ethyl]-N-phenylpyridin-4-amine;platinum(2+)
CID 58831140
4-chloro-2-(2,5-difluorophenyl)-7-fluoro-3-methylquinoline;2-(2,5-difluorophenyl)-7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
CID 157738159
6-chloro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-2,3-dimethylquinoline;4,6-dichloro-2,3-dimethylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
CID 158656158
5-chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methylquinoline;4,5-dichloro-2-(2-fluorophenyl)-3-methylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
CID 159204289
4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-pyridin-2-ylquinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole
CID 159649066
4-chloro-2-(2-fluorophenyl)-3-methylquinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2-(2-fluorophenyl)-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
CID 161892903
4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;3,3-dimethyl-6-pyridin-4-yl-1,2-dihydroindole;4-(3,3-dimethyl-6-pyridin-4-yl-2H-indol-1-yl)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
CID 161951753
1'-Benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3-chloro-2,4-difluorophenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4,5,6-pentafluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(3,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 167699241

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole (CID 162092707) is 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2cc(I)ccc21.Cc1cc(-c2nc3cc(F)ccc3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cc(F)ccc3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is ZDVGPWSDDQOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H23F4IN2.2C18H12ClF4N.C10H12IN/c1-15-9-17(11-18(10-15)28(30,31)32)25-16(2)26(21-7-5-19(29)12-23(21)34-25)35-14-27(3,4)22-8-6-20(33)13-24(22)35;1-15-10-17(12-18(11-15)28(30,31)32)25-16(2)26(24-21(29)6-5-7-22(24)34-25)35-14-27(3,4)20-9-8-19(33)13-23(20)35;1-9-5-11(7-12(6-9)18(21,22)23)17-10(2)16(19)14-4-3-13(20)8-15(14)24-17;1-9-6-11(8-12(7-9)18(21,22)23)17-10(2)16(19)15-13(20)4-3-5-14(15)24-17;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h2*5-13H,14H2,1-4H3;2*3-8H,1-2H3;3-5,12H,6H2,1-2H3.
What are the key properties of 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole?
4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 2161.41 g/mol, XLogP of 33.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;6-iodo-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 162092707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).