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

C52H43Cl3F2I2N4 — CID 159204289

IUPAC5-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
SMILESCC1(C)CNc2cc(I)ccc21.Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1Cl.Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1N1CC(C)(C)c2ccc(I)cc21
InChIInChI=1S/C26H21ClFIN2.C16H10Cl2FN.C10H12IN/c1-15-24(17-7-4-5-9-20(17)28)30-21-10-6-8-19(27)23(21)25(15)31-14-26(2,3)18-12-11-16(29)13-22(18)31;1-9-15(18)14-11(17)6-4-8-13(14)20-16(9)10-5-2-3-7-12(10)19;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h4-13H,14H2,1-3H3;2-8H,1H3;3-5,12H,6H2,1-2H3
InChIKeyKPRGDVHEQKEUFK-UHFFFAOYSA-N
MW1122.11 g/mol
LogP16.69
Rot. Bonds3

About 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

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 (PubChem CID 159204289) has the molecular formula C52H43Cl3F2I2N4 and a molecular weight of 1122.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159204289
Molecular FormulaC52H43Cl3F2I2N4
Molecular Weight1122.11 g/mol
Exact Mass1120.06
IUPAC Name5-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
SMILESCC1(C)CNc2cc(I)ccc21.Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1Cl.Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1N1CC(C)(C)c2ccc(I)cc21
InChIInChI=1S/C26H21ClFIN2.C16H10Cl2FN.C10H12IN/c1-15-24(17-7-4-5-9-20(17)28)30-21-10-6-8-19(27)23(21)25(15)31-14-26(2,3)18-12-11-16(29)13-22(18)31;1-9-15(18)14-11(17)6-4-8-13(14)20-16(9)10-5-2-3-7-12(10)19;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h4-13H,14H2,1-3H3;2-8H,1H3;3-5,12H,6H2,1-2H3
InChIKeyKPRGDVHEQKEUFK-UHFFFAOYSA-N
XLogP16.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.11
LogP ≤ 516.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-chloro-N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 9851127
N,N'-Bis-(6-chloro-1,2,3,4-tetrahydro-acridin-9-yl)-heptane-1,7-diamine
CID 9894056
6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 23644777
N-{7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 10875415
N,N'-Bis(3-chloro-9-acridinyl)-1,8-octanediamine
CID 99672
N'-[3-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
CID 11124688
N,N'-bis(6-chloro-3,3-dimethyl-2,4-dihydro-1H-acridin-9-yl)hexane-1,6-diamine
CID 127049638
N,N'-bis(6-chloro-2-fluoroacridin-9-yl)propane-1,3-diamine
CID 150144
5-Chloro-2-(2-fluorophenyl)-4-(6-iodo-3,3-dimethylindolin-1-yl)-3-methylquinoline
CID 67284548
N-[7-chloro-2-[(E)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]ethenyl]-6-fluoroquinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 141327070
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
1,3-Propanediamine, N,N'-bis(6-chloro-2-fluoro-9-acridinyl)-, dihydrochloride
CID 150143

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CNc2cc(I)ccc21.Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1Cl.Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1N1CC(C)(C)c2ccc(I)cc21.
What is the InChIKey of 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?
The InChIKey is KPRGDVHEQKEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFIN2.C16H10Cl2FN.C10H12IN/c1-15-24(17-7-4-5-9-20(17)28)30-21-10-6-8-19(27)23(21)25(15)31-14-26(2,3)18-12-11-16(29)13-22(18)31;1-9-15(18)14-11(17)6-4-8-13(14)20-16(9)10-5-2-3-7-12(10)19;1-10(2)6-12-9-5-7(11)3-4-8(9)10/h4-13H,14H2,1-3H3;2-8H,1H3;3-5,12H,6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1122.11 g/mol, XLogP of 16.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159204289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).