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

C13H10N2O5 — CID 12909275

IUPAC2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
SMILESCOC(=O)c1nc2n(c1C(=O)O)-c1ccccc1OC2
InChIInChI=1S/C13H10N2O5/c1-19-13(18)10-11(12(16)17)15-7-4-2-3-5-8(7)20-6-9(15)14-10/h2-5H,6H2,1H3,(H,16,17)
InChIKeyUWFDOSGWGQEGME-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.25
Rot. Bonds2

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

2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid (PubChem CID 12909275) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
PubChem CID12909275
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
SMILESCOC(=O)c1nc2n(c1C(=O)O)-c1ccccc1OC2
InChIInChI=1S/C13H10N2O5/c1-19-13(18)10-11(12(16)17)15-7-4-2-3-5-8(7)20-6-9(15)14-10/h2-5H,6H2,1H3,(H,16,17)
InChIKeyUWFDOSGWGQEGME-UHFFFAOYSA-N
XLogP1.25
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid (CID 12909275) is 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid is COC(=O)c1nc2n(c1C(=O)O)-c1ccccc1OC2.
What is the InChIKey of 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid?
The InChIKey is UWFDOSGWGQEGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-19-13(18)10-11(12(16)17)15-7-4-2-3-5-8(7)20-6-9(15)14-10/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid?
2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid is sourced from PubChem (CID 12909275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).