8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid

C13H11N3O4 — CID 21327984

IUPAC8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESCC(=O)Nc1ccc2c(c1)-n1cc(C(=O)O)nc1CO2
InChIInChI=1S/C13H11N3O4/c1-7(17)14-8-2-3-11-10(4-8)16-5-9(13(18)19)15-12(16)6-20-11/h2-5H,6H2,1H3,(H,14,17)(H,18,19)
InChIKeyZOHSIPNMWAVMQY-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.42
Rot. Bonds2

About 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid

8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (PubChem CID 21327984) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
PubChem CID21327984
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESCC(=O)Nc1ccc2c(c1)-n1cc(C(=O)O)nc1CO2
InChIInChI=1S/C13H11N3O4/c1-7(17)14-8-2-3-11-10(4-8)16-5-9(13(18)19)15-12(16)6-20-11/h2-5H,6H2,1H3,(H,14,17)(H,18,19)
InChIKeyZOHSIPNMWAVMQY-UHFFFAOYSA-N
XLogP1.42
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The IUPAC name of 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (CID 21327984) is 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.
What is the SMILES notation for 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The canonical SMILES for 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is CC(=O)Nc1ccc2c(c1)-n1cc(C(=O)O)nc1CO2.
What is the InChIKey of 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The InChIKey is ZOHSIPNMWAVMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-7(17)14-8-2-3-11-10(4-8)16-5-9(13(18)19)15-12(16)6-20-11/h2-5H,6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is sourced from PubChem (CID 21327984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).