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

C11H7ClN2O3 — CID 14067394

IUPAC8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)COc1ccc(Cl)cc1-2
InChIInChI=1S/C11H7ClN2O3/c12-6-1-2-9-8(3-6)14-4-7(11(15)16)13-10(14)5-17-9/h1-4H,5H2,(H,15,16)
InChIKeyIQHKOWHLRXSPMW-UHFFFAOYSA-N
MW250.64 g/mol
LogP2.12
Rot. Bonds1

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

8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (PubChem CID 14067394) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
PubChem CID14067394
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)COc1ccc(Cl)cc1-2
InChIInChI=1S/C11H7ClN2O3/c12-6-1-2-9-8(3-6)14-4-7(11(15)16)13-10(14)5-17-9/h1-4H,5H2,(H,15,16)
InChIKeyIQHKOWHLRXSPMW-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The IUPAC name of 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (CID 14067394) is 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.
What is the SMILES notation for 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The canonical SMILES for 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is O=C(O)c1cn2c(n1)COc1ccc(Cl)cc1-2.
What is the InChIKey of 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The InChIKey is IQHKOWHLRXSPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-6-1-2-9-8(3-6)14-4-7(11(15)16)13-10(14)5-17-9/h1-4H,5H2,(H,15,16).
What are the key properties of 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is sourced from PubChem (CID 14067394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).