2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone

C36H34F3N3O2 — CID 141146488

IUPAC2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1c(-c2ccc3nc(-c4ccccc4C(F)(F)F)ccc3c2)c(C2CCCCC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C36H34F3N3O2/c37-36(38,39)29-12-6-4-10-27(29)31-17-14-25-22-26(15-16-30(25)40-31)35-34(24-8-2-1-3-9-24)28-11-5-7-13-32(28)42(35)23-33(43)41-18-20-44-21-19-41/h4-7,10-17,22,24H,1-3,8-9,18-21,23H2
InChIKeyGWWCAHSICXXMQQ-UHFFFAOYSA-N
MW597.68 g/mol
LogP8.45
Rot. Bonds5

About 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone

2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 141146488) has the molecular formula C36H34F3N3O2 and a molecular weight of 597.68 g/mol. Its IUPAC name is 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID141146488
Molecular FormulaC36H34F3N3O2
Molecular Weight597.68 g/mol
Exact Mass597.26
IUPAC Name2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1c(-c2ccc3nc(-c4ccccc4C(F)(F)F)ccc3c2)c(C2CCCCC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C36H34F3N3O2/c37-36(38,39)29-12-6-4-10-27(29)31-17-14-25-22-26(15-16-30(25)40-31)35-34(24-8-2-1-3-9-24)28-11-5-7-13-32(28)42(35)23-33(43)41-18-20-44-21-19-41/h4-7,10-17,22,24H,1-3,8-9,18-21,23H2
InChIKeyGWWCAHSICXXMQQ-UHFFFAOYSA-N
XLogP8.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.68
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

Morpholine, 4-((2-phenyl-1H-indol-1-yl)acetyl)-
CID 381976
1-(8-cyclohexyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3103803
CID 10274635
CID 10274635
1-(4-(1-(2-morpholinoacetyl)piperidin-4-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49781044
1-Carbazol-9-yl-2-morpholin-4-yl-ethanone
CID 654866
4-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-1-methylquinolin-1-ium-4-yl]morpholine iodide
CID 137655921
2-[5-Fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 155540398
1-(8-Cyclohexyl-1,2,3A,4,5,6-hexahydro-3H-pyrazino[3,2,1-JK]carbazol-3-YL)-2-(dimethylamino)-1-ethanone
CID 46500834
9-(2-(4-Morpholinyl)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 381588
(E)-3-[4-cyclohexyl-5-[2-(2,4-difluorophenyl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid
CID 15987199
(E)-3-[4-cyclohexyl-5-[2-(4-fluorophenyl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid
CID 15987200
(E)-3-[4-cyclohexyl-5-[2-(2-fluorophenyl)quinolin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)pyrrol-2-yl]prop-2-enoic acid
CID 15987289

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone (CID 141146488) is 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1c(-c2ccc3nc(-c4ccccc4C(F)(F)F)ccc3c2)c(C2CCCCC2)c2ccccc21)N1CCOCC1.
What is the InChIKey of 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is GWWCAHSICXXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F3N3O2/c37-36(38,39)29-12-6-4-10-27(29)31-17-14-25-22-26(15-16-30(25)40-31)35-34(24-8-2-1-3-9-24)28-11-5-7-13-32(28)42(35)23-33(43)41-18-20-44-21-19-41/h4-7,10-17,22,24H,1-3,8-9,18-21,23H2.
What are the key properties of 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 597.68 g/mol, XLogP of 8.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-2-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 141146488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).