1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid

C16H15N3O5 — CID 12909285

IUPAC1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESO=C(O)c1nc2n(c1C(=O)N1CCOCC1)-c1ccccc1OC2
InChIInChI=1S/C16H15N3O5/c20-15(18-5-7-23-8-6-18)14-13(16(21)22)17-12-9-24-11-4-2-1-3-10(11)19(12)14/h1-4H,5-9H2,(H,21,22)
InChIKeyFLRWLWSPDRKMGJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP0.94
Rot. Bonds2

About 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid

1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (PubChem CID 12909285) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
PubChem CID12909285
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESO=C(O)c1nc2n(c1C(=O)N1CCOCC1)-c1ccccc1OC2
InChIInChI=1S/C16H15N3O5/c20-15(18-5-7-23-8-6-18)14-13(16(21)22)17-12-9-24-11-4-2-1-3-10(11)19(12)14/h1-4H,5-9H2,(H,21,22)
InChIKeyFLRWLWSPDRKMGJ-UHFFFAOYSA-N
XLogP0.94
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The IUPAC name of 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (CID 12909285) is 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.
What is the SMILES notation for 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The canonical SMILES for 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is O=C(O)c1nc2n(c1C(=O)N1CCOCC1)-c1ccccc1OC2.
What is the InChIKey of 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The InChIKey is FLRWLWSPDRKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-15(18-5-7-23-8-6-18)14-13(16(21)22)17-12-9-24-11-4-2-1-3-10(11)19(12)14/h1-4H,5-9H2,(H,21,22).
What are the key properties of 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid has a molecular weight of 329.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholine-4-carbonyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is sourced from PubChem (CID 12909285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).