6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline

C30H33F3N4O — CID 18414134

IUPAC6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline
SMILESCOc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C(F)(F)F)cc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C30H33F3N4O/c1-35-19-26(25-17-22(30(31,32)33)7-10-27(25)35)20-5-8-23(9-6-20)36-12-14-37(15-13-36)28-18-24(38-2)16-21-4-3-11-34-29(21)28/h3-4,7,10-11,16-20,23H,5-6,8-9,12-15H2,1-2H3
InChIKeyVTEPMLXHPAIDKL-UHFFFAOYSA-N
MW522.62 g/mol
LogP6.60
Rot. Bonds4

About 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline

6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline (PubChem CID 18414134) has the molecular formula C30H33F3N4O and a molecular weight of 522.62 g/mol. Its IUPAC name is 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline
PubChem CID18414134
Molecular FormulaC30H33F3N4O
Molecular Weight522.62 g/mol
Exact Mass522.26
IUPAC Name6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline
SMILESCOc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C(F)(F)F)cc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C30H33F3N4O/c1-35-19-26(25-17-22(30(31,32)33)7-10-27(25)35)20-5-8-23(9-6-20)36-12-14-37(15-13-36)28-18-24(38-2)16-21-4-3-11-34-29(21)28/h3-4,7,10-11,16-20,23H,5-6,8-9,12-15H2,1-2H3
InChIKeyVTEPMLXHPAIDKL-UHFFFAOYSA-N
XLogP6.60
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.62
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline with MolForge

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Related Compounds

Ditercalinium Chloride
CID 71541
5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-(trifluoromethyl)quinoline
CID 12004141
3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-(trifluoromethyl)-quinoline
CID 12004255
3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}quinoline
CID 12004280
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
Ditercalinium
CID 3119

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline?
The IUPAC name of 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline (CID 18414134) is 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline?
The canonical SMILES for 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline is COc1cc(N2CCN(C3CCC(c4cn(C)c5ccc(C(F)(F)F)cc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline?
The InChIKey is VTEPMLXHPAIDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N4O/c1-35-19-26(25-17-22(30(31,32)33)7-10-27(25)35)20-5-8-23(9-6-20)36-12-14-37(15-13-36)28-18-24(38-2)16-21-4-3-11-34-29(21)28/h3-4,7,10-11,16-20,23H,5-6,8-9,12-15H2,1-2H3.
What are the key properties of 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline?
6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline has a molecular weight of 522.62 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-[4-[4-[1-methyl-5-(trifluoromethyl)indol-3-yl]cyclohexyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 18414134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).