bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one

C86H95F5N12O4 — CID 158801170

IUPACbis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one
SMILESCOc1cc(N2CCN(C3CCC(c4c[nH]c5ccc(F)cc45)CC3)CC2)c2ncccc2c1.COc1cc(N2CCN(C3CCC(c4c[nH]c5ccc(F)cc45)CC3)CC2)c2ncccc2c1.COc1cc(N2CCNCC2)c2ncccc2c1.Cn1cc(C2CCC(=O)CC2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/2C28H31FN4O.C16H16F3NO.C14H17N3O/c2*1-34-23-15-20-3-2-10-30-28(20)27(17-23)33-13-11-32(12-14-33)22-7-4-19(5-8-22)25-18-31-26-9-6-21(29)16-24(25)26;1-20-9-14(10-2-5-12(21)6-3-10)13-8-11(16(17,18)19)4-7-15(13)20;1-18-12-9-11-3-2-4-16-14(11)13(10-12)17-7-5-15-6-8-17/h2*2-3,6,9-10,15-19,22,31H,4-5,7-8,11-14H2,1H3;4,7-10H,2-3,5-6H2,1H3;2-4,9-10,15H,5-8H2,1H3
InChIKeyITMUAADWLZOWJG-UHFFFAOYSA-N
MW1455.78 g/mol
LogP17.50
Rot. Bonds11

About bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one

bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one (PubChem CID 158801170) has the molecular formula C86H95F5N12O4 and a molecular weight of 1455.78 g/mol. Its IUPAC name is bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Namebis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one
PubChem CID158801170
Molecular FormulaC86H95F5N12O4
Molecular Weight1455.78 g/mol
Exact Mass1454.75
IUPAC Namebis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one
SMILESCOc1cc(N2CCN(C3CCC(c4c[nH]c5ccc(F)cc45)CC3)CC2)c2ncccc2c1.COc1cc(N2CCN(C3CCC(c4c[nH]c5ccc(F)cc45)CC3)CC2)c2ncccc2c1.COc1cc(N2CCNCC2)c2ncccc2c1.Cn1cc(C2CCC(=O)CC2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/2C28H31FN4O.C16H16F3NO.C14H17N3O/c2*1-34-23-15-20-3-2-10-30-28(20)27(17-23)33-13-11-32(12-14-33)22-7-4-19(5-8-22)25-18-31-26-9-6-21(29)16-24(25)26;1-20-9-14(10-2-5-12(21)6-3-10)13-8-11(16(17,18)19)4-7-15(13)20;1-18-12-9-11-3-2-4-16-14(11)13(10-12)17-7-5-15-6-8-17/h2*2-3,6,9-10,15-19,22,31H,4-5,7-8,11-14H2,1H3;4,7-10H,2-3,5-6H2,1H3;2-4,9-10,15H,5-8H2,1H3
InChIKeyITMUAADWLZOWJG-UHFFFAOYSA-N
XLogP17.50
TPSA148.17 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.78
LogP ≤ 517.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one with MolForge

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Related Compounds

Ditercalinium Chloride
CID 71541
Ditercalinium
CID 3119
1,3-DI[[[10-Methoxy-7H-pyrido[4,3-C]carbazol-2-iumyl]-ethyl]-piperidin-4-YL]-propane
CID 2938
7H-Pyrido(4,3-c)carbazolium, 2,2'-(1,3-propanediylbis(4,1-piperidinediyl-2,1-ethanediyl))bis(10-methoxy-, dichloride
CID 150817
2-[2-[4-[1-[2-(6-carboxy-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-6-carboxylic acid;bis(2,2,2-trifluoroacetate);bis(2,2,2-trifluoroacetic acid)
CID 15156597
10-methoxy-3-[2-[4-[1-[2-(10-methoxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium dichloride
CID 15921312
2,6-diamino-N-[[2-[2-[4-[1-[2-[6-[(2,6-diaminohexanoylamino)methyl]-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-6-yl]methyl]hexanamide;bis(2,2,2-trifluoroacetate);tetrakis(2,2,2-trifluoroacetic acid)
CID 46877436
[2-[2-[4-[1-[2-[6-(aminomethyl)-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-6-yl]methanamine;bis(2,2,2-trifluoroacetate);tetrakis(2,2,2-trifluoroacetic acid)
CID 54579928
6-Methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline
CID 18414134
6-methoxy-8-[4-[4-[5-(trifluoromethyl)-1H-indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline
CID 18414139
8-[4-[4-(6-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 18414170
6-methoxy-8-[4-[4-[6-(trifluoromethyl)-1H-indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline
CID 20701153

Frequently Asked Questions

What is the IUPAC name of bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one?
The IUPAC name of bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one (CID 158801170) is bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one.
What is the SMILES notation for bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one?
The canonical SMILES for bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one is COc1cc(N2CCN(C3CCC(c4c[nH]c5ccc(F)cc45)CC3)CC2)c2ncccc2c1.COc1cc(N2CCN(C3CCC(c4c[nH]c5ccc(F)cc45)CC3)CC2)c2ncccc2c1.COc1cc(N2CCNCC2)c2ncccc2c1.Cn1cc(C2CCC(=O)CC2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one?
The InChIKey is ITMUAADWLZOWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31FN4O.C16H16F3NO.C14H17N3O/c2*1-34-23-15-20-3-2-10-30-28(20)27(17-23)33-13-11-32(12-14-33)22-7-4-19(5-8-22)25-18-31-26-9-6-21(29)16-24(25)26;1-20-9-14(10-2-5-12(21)6-3-10)13-8-11(16(17,18)19)4-7-15(13)20;1-18-12-9-11-3-2-4-16-14(11)13(10-12)17-7-5-15-6-8-17/h2*2-3,6,9-10,15-19,22,31H,4-5,7-8,11-14H2,1H3;4,7-10H,2-3,5-6H2,1H3;2-4,9-10,15H,5-8H2,1H3.
What are the key properties of bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one?
bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one has a molecular weight of 1455.78 g/mol, XLogP of 17.50, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-[4-[4-(5-fluoro-1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline);6-methoxy-8-piperazin-1-ylquinoline;4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexan-1-one is sourced from PubChem (CID 158801170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).