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

C64H63ClF4N10O2 — CID 159335031

About 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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 159335031) has the molecular formula C64H63ClF4N10O2 and a molecular weight of 1115.72 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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: 159335031
• Molecular Formula: C64H63ClF4N10O2
• Molecular Weight: 1115.72 g/mol
• Exact Mass: 1114.48
• IUPAC Name: 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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.Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
• InChI: InChI=1S/C32H31F2N5O.C19H13ClF2N2.C13H19N3O/c1-19-29(21-5-6-26-20(13-21)7-8-37(26)4)36-25-15-22(33)14-24(34)28(25)30(19)39-18-32(2,3)31-27(39)16-23(17-35-31)38-9-11-40-12-10-38;1-10-18(20)17-14(22)8-13(21)9-15(17)23-19(10)12-3-4-16-11(7-12)5-6-24(16)2;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h5-8,13-17H,9-12,18H2,1-4H3;3-9H,1-2H3;7-8,15H,3-6,9H2,1-2H3
• InChIKey: LFKQSUZEYRBNGY-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 101.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.72
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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 159335031) is 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.

What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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 LFKQSUZEYRBNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N5O.C19H13ClF2N2.C13H19N3O/c1-19-29(21-5-6-26-20(13-21)7-8-37(26)4)36-25-15-22(33)14-24(34)28(25)30(19)39-18-32(2,3)31-27(39)16-23(17-35-31)38-9-11-40-12-10-38;1-10-18(20)17-14(22)8-13(21)9-15(17)23-19(10)12-3-4-16-11(7-12)5-6-24(16)2;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h5-8,13-17H,9-12,18H2,1-4H3;3-9H,1-2H3;7-8,15H,3-6,9H2,1-2H3.

What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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 1115.72 g/mol, XLogP of 13.90, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(1-methylindol-5-yl)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 159335031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).