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

C13H12N2O3 — CID 14067399

IUPAC4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESCCC1Oc2ccccc2-n2cc(C(=O)O)nc21
InChIInChI=1S/C13H12N2O3/c1-2-10-12-14-8(13(16)17)7-15(12)9-5-3-4-6-11(9)18-10/h3-7,10H,2H2,1H3,(H,16,17)
InChIKeyYRHORXXNYFFCSX-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.41
Rot. Bonds2

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

4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (PubChem CID 14067399) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
PubChem CID14067399
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESCCC1Oc2ccccc2-n2cc(C(=O)O)nc21
InChIInChI=1S/C13H12N2O3/c1-2-10-12-14-8(13(16)17)7-15(12)9-5-3-4-6-11(9)18-10/h3-7,10H,2H2,1H3,(H,16,17)
InChIKeyYRHORXXNYFFCSX-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The IUPAC name of 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (CID 14067399) is 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is CCC1Oc2ccccc2-n2cc(C(=O)O)nc21.
What is the InChIKey of 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The InChIKey is YRHORXXNYFFCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-10-12-14-8(13(16)17)7-15(12)9-5-3-4-6-11(9)18-10/h3-7,10H,2H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is sourced from PubChem (CID 14067399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).