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

C62H59ClF10N8O2 — CID 158253240

IUPAC4-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
SMILESCC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(Cc2cccc(C(F)(F)F)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cc2cccc(C(F)(F)F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C31H29F5N4O.C18H11ClF5N.C13H19N3O/c1-18-24(12-19-5-4-6-20(11-19)31(34,35)36)38-25-14-21(32)13-23(33)27(25)28(18)40-17-30(2,3)29-26(40)15-22(16-37-29)39-7-9-41-10-8-39;1-9-14(6-10-3-2-4-11(5-10)18(22,23)24)25-15-8-12(20)7-13(21)16(15)17(9)19;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-6,11,13-16H,7-10,12,17H2,1-3H3;2-5,7-8H,6H2,1H3;7-8,15H,3-6,9H2,1-2H3
InChIKeyGGYVIRCBZQLFKN-UHFFFAOYSA-N
MW1173.64 g/mol
LogP14.80
Rot. Bonds7

About 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

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 (PubChem CID 158253240) has the molecular formula C62H59ClF10N8O2 and a molecular weight of 1173.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158253240
Molecular FormulaC62H59ClF10N8O2
Molecular Weight1173.64 g/mol
Exact Mass1172.43
IUPAC Name4-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
SMILESCC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(Cc2cccc(C(F)(F)F)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cc2cccc(C(F)(F)F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
InChIInChI=1S/C31H29F5N4O.C18H11ClF5N.C13H19N3O/c1-18-24(12-19-5-4-6-20(11-19)31(34,35)36)38-25-14-21(32)13-23(33)27(25)28(18)40-17-30(2,3)29-26(40)15-22(16-37-29)39-7-9-41-10-8-39;1-9-14(6-10-3-2-4-11(5-10)18(22,23)24)25-15-8-12(20)7-13(21)16(15)17(9)19;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-6,11,13-16H,7-10,12,17H2,1-3H3;2-5,7-8H,6H2,1H3;7-8,15H,3-6,9H2,1-2H3
InChIKeyGGYVIRCBZQLFKN-UHFFFAOYSA-N
XLogP14.80
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.64
LogP ≤ 514.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-5-fluoro-3,8-dimethyl-2-(2-pyridin-yl)quinoline
CID 50938605
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-(3,5-dimethylphenyl)-7-fluoro-3-methylquinoline
CID 50938830
US8765940, 4-(5-chloro-3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-7-fluoro-3-methyl-2-(2-pyridinyl)quinoline
CID 50939468
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
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]-pyridin-1-yl)-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline
CID 50939732
4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
CID 67284623
US8765940, 5'-chloro-1'-(7-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-6'-(4-morpholinyl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
CID 86766346
2-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]-4-chloropyridin-3-amine
CID 146676623
N-(2-Chloro-5-morpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)-quinolin-4-amine
CID 59631201
4-[7-[5,7-Difluoro-3-methyl-2-(1-phenylethenyl)quinolin-4-yl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl]morpholine
CID 67513092
4-[1-(7-fluoro-3-propyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
CID 67513234

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(Cc2cccc(C(F)(F)F)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cc2cccc(C(F)(F)F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.
What is the InChIKey of 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?
The InChIKey is GGYVIRCBZQLFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F5N4O.C18H11ClF5N.C13H19N3O/c1-18-24(12-19-5-4-6-20(11-19)31(34,35)36)38-25-14-21(32)13-23(33)27(25)28(18)40-17-30(2,3)29-26(40)15-22(16-37-29)39-7-9-41-10-8-39;1-9-14(6-10-3-2-4-11(5-10)18(22,23)24)25-15-8-12(20)7-13(21)16(15)17(9)19;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-6,11,13-16H,7-10,12,17H2,1-3H3;2-5,7-8H,6H2,1H3;7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1173.64 g/mol, XLogP of 14.80, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158253240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).