tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine

C66H73ClF4N12O6 — CID 157471734

About tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine

tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine (PubChem CID 157471734) has the molecular formula C66H73ClF4N12O6 and a molecular weight of 1241.83 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine.

Molecular Properties

• Compound Name: tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine
• PubChem CID: 157471734
• Molecular Formula: C66H73ClF4N12O6
• Molecular Weight: 1241.83 g/mol
• Exact Mass: 1240.54
• IUPAC Name: tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine
• SMILES: CC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(N(C(=O)OC(C)(C)C)c2ccccn2)nc2cc(F)cc(F)c2c1Cl.Cc1c(N(C(=O)OC(C)(C)C)c2ccccn2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
• InChI: InChI=1S/C33H36F2N6O3.C20H18ClF2N3O2.C13H19N3O/c1-20-28(40-19-33(5,6)29-25(40)17-22(18-37-29)39-11-13-43-14-12-39)27-23(35)15-21(34)16-24(27)38-30(20)41(26-9-7-8-10-36-26)31(42)44-32(2,3)4;1-11-17(21)16-13(23)9-12(22)10-14(16)25-18(11)26(15-7-5-6-8-24-15)19(27)28-20(2,3)4;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h7-10,15-18H,11-14,19H2,1-6H3;5-10H,1-4H3;7-8,15H,3-6,9H2,1-2H3
• InChIKey: BVCQIIPIGQEYNQ-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 176.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1241.83
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine?

The IUPAC name of tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine (CID 157471734) is tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine.

What is the SMILES notation for tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine?

The canonical SMILES for tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine is CC1(C)CNc2cc(N3CCOCC3)cnc21.Cc1c(N(C(=O)OC(C)(C)C)c2ccccn2)nc2cc(F)cc(F)c2c1Cl.Cc1c(N(C(=O)OC(C)(C)C)c2ccccn2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.

What is the InChIKey of tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine?

The InChIKey is BVCQIIPIGQEYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F2N6O3.C20H18ClF2N3O2.C13H19N3O/c1-20-28(40-19-33(5,6)29-25(40)17-22(18-37-29)39-11-13-43-14-12-39)27-23(35)15-21(34)16-24(27)38-30(20)41(26-9-7-8-10-36-26)31(42)44-32(2,3)4;1-11-17(21)16-13(23)9-12(22)10-14(16)25-18(11)26(15-7-5-6-8-24-15)19(27)28-20(2,3)4;1-13(2)9-15-11-7-10(8-14-12(11)13)16-3-5-17-6-4-16/h7-10,15-18H,11-14,19H2,1-6H3;5-10H,1-4H3;7-8,15H,3-6,9H2,1-2H3.

What are the key properties of tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine?

tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine has a molecular weight of 1241.83 g/mol, XLogP of 14.51, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-N-pyridin-2-ylcarbamate;tert-butyl N-[4-(3,3-dimethyl-6-morpholin-4-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-3-methylquinolin-2-yl]-N-pyridin-2-ylcarbamate;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine is sourced from PubChem (CID 157471734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).