4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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

C62H59ClF4N10O2 — CID 161161663

About 4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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 161161663) has the molecular formula C62H59ClF4N10O2 and a molecular weight of 1087.67 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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: 161161663
• Molecular Formula: C62H59ClF4N10O2
• Molecular Weight: 1087.67 g/mol
• Exact Mass: 1086.44
• IUPAC Name: 4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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(-c2cccc3[nH]ccc23)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2cccc3[nH]ccc23)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
• InChI: InChI=1S/C31H29F2N5O.C18H11ClF2N2.C13H19N3O/c1-18-28(22-5-4-6-24-21(22)7-8-34-24)36-25-14-19(32)13-23(33)27(25)29(18)38-17-31(2,3)30-26(38)15-20(16-35-30)37-9-11-39-12-10-37;1-9-17(19)16-13(21)7-10(20)8-15(16)23-18(9)12-3-2-4-14-11(12)5-6-22-14;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-8,13-16,34H,9-12,17H2,1-3H3;2-8,22H,1H3;7-8,15H,3-6,9H2,1-2H3
• InChIKey: UPZRBYGLABPJAP-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 123.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1087.67
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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 161161663) is 4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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(-c2cccc3[nH]ccc23)nc2cc(F)cc(F)c2c1Cl.Cc1c(-c2cccc3[nH]ccc23)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.

What is the InChIKey of 4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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 UPZRBYGLABPJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N5O.C18H11ClF2N2.C13H19N3O/c1-18-28(22-5-4-6-24-21(22)7-8-34-24)36-25-14-19(32)13-23(33)27(25)29(18)38-17-31(2,3)30-26(38)15-20(16-35-30)37-9-11-39-12-10-37;1-9-17(19)16-13(21)7-10(20)8-15(16)23-18(9)12-3-2-4-14-11(12)5-6-22-14;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h4-8,13-16,34H,9-12,17H2,1-3H3;2-8,22H,1H3;7-8,15H,3-6,9H2,1-2H3.

What are the key properties of 4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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 1087.67 g/mol, XLogP of 13.88, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinoline;4-[1-[5,7-difluoro-2-(1H-indol-4-yl)-3-methylquinolin-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 161161663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).