tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate

C23H26BrN3O4 — CID 86683662

IUPACtert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate
SMILESCN1C(=O)COc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(Br)cc21
InChIInChI=1S/C23H26BrN3O4/c1-22(2,3)31-21(29)26-23(10-5-11-23)15-8-6-14(7-9-15)19-16(24)12-17-20(25-19)30-13-18(28)27(17)4/h6-9,12H,5,10-11,13H2,1-4H3,(H,26,29)
InChIKeyKTBFCGCLMTVKLG-UHFFFAOYSA-N
MW488.38 g/mol
LogP4.77
Rot. Bonds3

About tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate (PubChem CID 86683662) has the molecular formula C23H26BrN3O4 and a molecular weight of 488.38 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate
PubChem CID86683662
Molecular FormulaC23H26BrN3O4
Molecular Weight488.38 g/mol
Exact Mass487.11
IUPAC Nametert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate
SMILESCN1C(=O)COc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(Br)cc21
InChIInChI=1S/C23H26BrN3O4/c1-22(2,3)31-21(29)26-23(10-5-11-23)15-8-6-14(7-9-15)19-16(24)12-17-20(25-19)30-13-18(28)27(17)4/h6-9,12H,5,10-11,13H2,1-4H3,(H,26,29)
InChIKeyKTBFCGCLMTVKLG-UHFFFAOYSA-N
XLogP4.77
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate (CID 86683662) is tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate is CN1C(=O)COc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(Br)cc21.
What is the InChIKey of tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is KTBFCGCLMTVKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O4/c1-22(2,3)31-21(29)26-23(10-5-11-23)15-8-6-14(7-9-15)19-16(24)12-17-20(25-19)30-13-18(28)27(17)4/h6-9,12H,5,10-11,13H2,1-4H3,(H,26,29).
What are the key properties of tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 488.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(7-bromo-1-methyl-2-oxopyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 86683662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).