6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

C19H24N4O4 — CID 19871139

IUPAC6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC2CN3CCC2CC3)c2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C19H24N4O4/c1-11(24)20-13-7-14(18-16(8-13)22(2)17(25)10-27-18)19(26)21-15-9-23-5-3-12(15)4-6-23/h7-8,12,15H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyJQGSQZARNICJLJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.82
Rot. Bonds3

About 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (PubChem CID 19871139) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
PubChem CID19871139
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC2CN3CCC2CC3)c2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C19H24N4O4/c1-11(24)20-13-7-14(18-16(8-13)22(2)17(25)10-27-18)19(26)21-15-9-23-5-3-12(15)4-6-23/h7-8,12,15H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyJQGSQZARNICJLJ-UHFFFAOYSA-N
XLogP0.82
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (CID 19871139) is 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is CC(=O)Nc1cc(C(=O)NC2CN3CCC2CC3)c2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The InChIKey is JQGSQZARNICJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-11(24)20-13-7-14(18-16(8-13)22(2)17(25)10-27-18)19(26)21-15-9-23-5-3-12(15)4-6-23/h7-8,12,15H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,26).
What are the key properties of 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 19871139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).