tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate

C29H33N5O4 — CID 172701565

About tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate

tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate (PubChem CID 172701565) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
• PubChem CID: 172701565
• Molecular Formula: C29H33N5O4
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.25
• IUPAC Name: tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate
• SMILES: CC1CC2(C1)C(=O)Nc1cnc3ccc(-c4cnc(OCC5CN(C(=O)OC(C)(C)C)C5)c(N)c4)cc3c12
• InChI: InChI=1S/C29H33N5O4/c1-16-9-29(10-16)24-20-7-18(5-6-22(20)31-12-23(24)33-26(29)35)19-8-21(30)25(32-11-19)37-15-17-13-34(14-17)27(36)38-28(2,3)4/h5-8,11-12,16-17H,9-10,13-15,30H2,1-4H3,(H,33,35)
• InChIKey: DAMZZDQEDFMPQI-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 119.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate (CID 172701565) is tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate is CC1CC2(C1)C(=O)Nc1cnc3ccc(-c4cnc(OCC5CN(C(=O)OC(C)(C)C)C5)c(N)c4)cc3c12.

What is the InChIKey of tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate?

The InChIKey is DAMZZDQEDFMPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-16-9-29(10-16)24-20-7-18(5-6-22(20)31-12-23(24)33-26(29)35)19-8-21(30)25(32-11-19)37-15-17-13-34(14-17)27(36)38-28(2,3)4/h5-8,11-12,16-17H,9-10,13-15,30H2,1-4H3,(H,33,35).

What are the key properties of tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate?

tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate has a molecular weight of 515.61 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[3-amino-5-(3'-methyl-2-oxospiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-8-yl)-2-pyridinyl]oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 172701565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).