4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

C52H57ClF6N6O2 — CID 160939276

IUPAC4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCC1(C)CNc2cc(N3CCOCC3)ccc21.Cc1nc2c(C(F)(F)F)cccc2c(Cl)c1C.Cc1nc2c(C(F)(F)F)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C26H28F3N3O.C14H20N2O.C12H9ClF3N/c1-16-17(2)30-23-19(6-5-7-21(23)26(27,28)29)24(16)32-15-25(3,4)20-9-8-18(14-22(20)32)31-10-12-33-13-11-31;1-14(2)10-15-13-9-11(3-4-12(13)14)16-5-7-17-8-6-16;1-6-7(2)17-11-8(10(6)13)4-3-5-9(11)12(14,15)16/h5-9,14H,10-13,15H2,1-4H3;3-4,9,15H,5-8,10H2,1-2H3;3-5H,1-2H3
InChIKeySUHDUUJBNLWSAJ-UHFFFAOYSA-N
MW947.51 g/mol
LogP12.89
Rot. Bonds3

About 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine

4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 160939276) has the molecular formula C52H57ClF6N6O2 and a molecular weight of 947.51 g/mol. Its IUPAC name is 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

Compound Name4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
PubChem CID160939276
Molecular FormulaC52H57ClF6N6O2
Molecular Weight947.51 g/mol
Exact Mass946.41
IUPAC Name4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
SMILESCC1(C)CNc2cc(N3CCOCC3)ccc21.Cc1nc2c(C(F)(F)F)cccc2c(Cl)c1C.Cc1nc2c(C(F)(F)F)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C26H28F3N3O.C14H20N2O.C12H9ClF3N/c1-16-17(2)30-23-19(6-5-7-21(23)26(27,28)29)24(16)32-15-25(3,4)20-9-8-18(14-22(20)32)31-10-12-33-13-11-31;1-14(2)10-15-13-9-11(3-4-12(13)14)16-5-7-17-8-6-16;1-6-7(2)17-11-8(10(6)13)4-3-5-9(11)12(14,15)16/h5-9,14H,10-13,15H2,1-4H3;3-4,9,15H,5-8,10H2,1-2H3;3-5H,1-2H3
InChIKeySUHDUUJBNLWSAJ-UHFFFAOYSA-N
XLogP12.89
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.51
LogP ≤ 512.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine with MolForge

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Related Compounds

US8765940, 6-chloro-4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-3-methyl-2-(trifluoromethyl)quinoline
CID 50940224
2-(3,5-bis(trifluoromethyl)phenyl)-4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-5-fluoro-3-methylquinoline
CID 50938607
2-(3,5-bis(trifluoromethyl)phenyl)-4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methylquinoline
CID 50939345
4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
CID 67473262
4-[1-[5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
CID 67473263
2-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-7-fluoro-3-methylquinoline;4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]-7-fluoro-3-methylquinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
CID 87428080
4-chloro-5,7-difluoro-3-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]quinoline;4-[1-[5,7-difluoro-3-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine
CID 158253240
(4aS,11S,11aR)-11-methyl-9-(trifluoromethyl)-2,3,4,4a,5,6,11,11a-octahydro-1H-pyrido[4,3-b]carbazole;4-[2-[(4aS,11S,11aR)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]morpholine
CID 158572224
7-fluoro-4-(6-iodo-3,3-dimethyl-2H-indol-1-yl)-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-[1-[7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
CID 160343229
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
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
3-morpholin-4-yl-N-[[10-[(3-morpholin-4-ylpropylamino)methyl]quinolino[2,3-a]acridin-2-yl]methyl]propan-1-amine
CID 10188738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The IUPAC name of 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 160939276) is 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine.
What is the SMILES notation for 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The canonical SMILES for 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is CC1(C)CNc2cc(N3CCOCC3)ccc21.Cc1nc2c(C(F)(F)F)cccc2c(Cl)c1C.Cc1nc2c(C(F)(F)F)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C.
What is the InChIKey of 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
The InChIKey is SUHDUUJBNLWSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O.C14H20N2O.C12H9ClF3N/c1-16-17(2)30-23-19(6-5-7-21(23)26(27,28)29)24(16)32-15-25(3,4)20-9-8-18(14-22(20)32)31-10-12-33-13-11-31;1-14(2)10-15-13-9-11(3-4-12(13)14)16-5-7-17-8-6-16;1-6-7(2)17-11-8(10(6)13)4-3-5-9(11)12(14,15)16/h5-9,14H,10-13,15H2,1-4H3;3-4,9,15H,5-8,10H2,1-2H3;3-5H,1-2H3.
What are the key properties of 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine?
4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 947.51 g/mol, XLogP of 12.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dimethyl-8-(trifluoromethyl)quinoline;4-(3,3-dimethyl-1,2-dihydroindol-6-yl)morpholine;4-[1-[2,3-dimethyl-8-(trifluoromethyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 160939276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).