tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate

C24H26N4O3S — CID 171549780

About tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate

tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate (PubChem CID 171549780) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate
• PubChem CID: 171549780
• Molecular Formula: C24H26N4O3S
• Molecular Weight: 450.56 g/mol
• Exact Mass: 450.17
• IUPAC Name: tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate
• SMILES: CC(CNC(=O)OC(C)(C)C)c1ccc(-c2c(N)ncc3[nH]c(=O)c4sccc4c23)cc1
• InChI: InChI=1S/C24H26N4O3S/c1-13(11-27-23(30)31-24(2,3)4)14-5-7-15(8-6-14)18-19-16-9-10-32-20(16)22(29)28-17(19)12-26-21(18)25/h5-10,12-13H,11H2,1-4H3,(H2,25,26)(H,27,30)(H,28,29)
• InChIKey: CIYNQGTVNJFNTJ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 110.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.56
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate?

The IUPAC name of tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate (CID 171549780) is tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)c1ccc(-c2c(N)ncc3[nH]c(=O)c4sccc4c23)cc1.

What is the InChIKey of tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate?

The InChIKey is CIYNQGTVNJFNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-13(11-27-23(30)31-24(2,3)4)14-5-7-15(8-6-14)18-19-16-9-10-32-20(16)22(29)28-17(19)12-26-21(18)25/h5-10,12-13H,11H2,1-4H3,(H2,25,26)(H,27,30)(H,28,29).

What are the key properties of tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate?

tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate has a molecular weight of 450.56 g/mol, XLogP of 5.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[4-(8-amino-4-oxo-5H-thieno[2,3-c][1,7]naphthyridin-9-yl)phenyl]propyl]carbamate is sourced from PubChem (CID 171549780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).