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

C60H54F8IN5O — CID 161159942

IUPAC5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2C)cc(C(F)(F)F)c1
InChIInChI=1S/C32H31F4N3O.C28H23F4IN2/c1-19-14-21(16-22(15-19)32(34,35)36)29-20(2)30(28-25(33)6-5-7-26(28)37-29)39-18-31(3,4)24-9-8-23(17-27(24)39)38-10-12-40-13-11-38;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/h5-9,14-17H,10-13,18H2,1-4H3;5-13H,14H2,1-4H3
InChIKeyUPUFKKMTDPOQSB-UHFFFAOYSA-N
MW1140.01 g/mol
LogP16.65
Rot. Bonds5

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

5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 161159942) has the molecular formula C60H54F8IN5O and a molecular weight of 1140.01 g/mol. Its IUPAC name is 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID161159942
Molecular FormulaC60H54F8IN5O
Molecular Weight1140.01 g/mol
Exact Mass1139.32
IUPAC Name5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2C)cc(C(F)(F)F)c1
InChIInChI=1S/C32H31F4N3O.C28H23F4IN2/c1-19-14-21(16-22(15-19)32(34,35)36)29-20(2)30(28-25(33)6-5-7-26(28)37-29)39-18-31(3,4)24-9-8-23(17-27(24)39)38-10-12-40-13-11-38;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/h5-9,14-17H,10-13,18H2,1-4H3;5-13H,14H2,1-4H3
InChIKeyUPUFKKMTDPOQSB-UHFFFAOYSA-N
XLogP16.65
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.01
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

4-[3,3-Dimethyl-6-(Morpholin-4-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-7-Fluoro-3-Methyl-2-(Pyridin-3-Yl)quinoline
CID 50939209
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-3-methyl-2-phenylquinoline
CID 50939865
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-2,3-dimethylquinoline
CID 50939992
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-2-(2-fluorophenyl)-3-methylquinoline
CID 50940110
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 67284779
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-5-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 67285093
2-(2,5-difluorophenyl)-4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methylquinoline
CID 50938717
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-8-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 50939208
4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinoline
CID 50939339
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methyl-2-(3-(trifluoromethyl)benzyl)quinoline
CID 50939471
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methyl-2-(1-methyl-1H-indol-5-yl)-quinoline
CID 50939731
1-(7-Fluoro-2-(2-fluorophenyl)-3-methyl-4-quinolinyl)-6-(4-morpholinyl)-1,2,2',3',5',6'-hexahydrospiro[indole-3,4'-pyran]
CID 50939989

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 161159942) is 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(I)cc43)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2C)cc(C(F)(F)F)c1.
What is the InChIKey of 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is UPUFKKMTDPOQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N3O.C28H23F4IN2/c1-19-14-21(16-22(15-19)32(34,35)36)29-20(2)30(28-25(33)6-5-7-26(28)37-29)39-18-31(3,4)24-9-8-23(17-27(24)39)38-10-12-40-13-11-38;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/h5-9,14-17H,10-13,18H2,1-4H3;5-13H,14H2,1-4H3.
What are the key properties of 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 1140.01 g/mol, XLogP of 16.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 161159942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).