4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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

C62H65ClF4N8O6S2 — CID 161130473

About 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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 161130473) has the molecular formula C62H65ClF4N8O6S2 and a molecular weight of 1193.83 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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 Name: 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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: 161130473
• Molecular Formula: C62H65ClF4N8O6S2
• Molecular Weight: 1193.83 g/mol
• Exact Mass: 1192.41
• IUPAC Name: 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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
• SMILES: CC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(Cl)c2C)c1.Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1
• InChI: InChI=1S/C31H32F2N4O3S.C18H14ClF2NO2S.C13H19N3O/c1-18-6-7-26(41(5,38)39)22(12-18)28-19(2)29(27-23(33)13-20(32)14-24(27)35-28)37-17-31(3,4)30-25(37)15-21(16-34-30)36-8-10-40-11-9-36;1-9-4-5-15(25(3,23)24)12(6-9)18-10(2)17(19)16-13(21)7-11(20)8-14(16)22-18;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h6-7,12-16H,8-11,17H2,1-5H3;4-8H,1-3H3;7-8,15H,3-6,9H2,1-2H3
• InChIKey: UMCNKNOYBUSYMJ-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 160.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1193.83
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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 161130473) is 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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.Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(Cl)c2C)c1.Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1.

What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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 UMCNKNOYBUSYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N4O3S.C18H14ClF2NO2S.C13H19N3O/c1-18-6-7-26(41(5,38)39)22(12-18)28-19(2)29(27-23(33)13-20(32)14-24(27)35-28)37-17-31(3,4)30-25(37)15-21(16-34-30)36-8-10-40-11-9-36;1-9-4-5-15(25(3,23)24)12(6-9)18-10(2)17(19)16-13(21)7-11(20)8-14(16)22-18;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h6-7,12-16H,8-11,17H2,1-5H3;4-8H,1-3H3;7-8,15H,3-6,9H2,1-2H3.

What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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 1193.83 g/mol, XLogP of 12.34, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)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 161130473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).