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

C11H8N2O3 — CID 12909287

IUPAC4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
SMILESO=C(O)c1cnc2n1-c1ccccc1OC2
InChIInChI=1S/C11H8N2O3/c14-11(15)8-5-12-10-6-16-9-4-2-1-3-7(9)13(8)10/h1-5H,6H2,(H,14,15)
InChIKeyQPNHPKIMMDOABN-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.46
Rot. Bonds1

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

4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid (PubChem CID 12909287) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid.

Molecular Properties

Compound Name4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
PubChem CID12909287
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
SMILESO=C(O)c1cnc2n1-c1ccccc1OC2
InChIInChI=1S/C11H8N2O3/c14-11(15)8-5-12-10-6-16-9-4-2-1-3-7(9)13(8)10/h1-5H,6H2,(H,14,15)
InChIKeyQPNHPKIMMDOABN-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(Benzyloxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 9882206
5-Propan-2-yloxyimidazo[1,2-a]quinoline-2-carboxylic acid
CID 12763963
2-methoxycarbonyl-4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
CID 12909275
methyl 4H-imidazo-[2,1-c][1,4]-benzoxazine-2-carboxylate
CID 12909280
4H-benzo[b]imidazo[1,2-d][1,4]oxazine-2-carboxylic acid
CID 12909281
4H-imidazo[2,1-c][1,4]benzoxazin-2-ylmethanol
CID 12909288
4H-imidazo[2,1-c][1,4]benzoxazine-2-carbaldehyde
CID 12909289
4H-Benzo[b]imidazo[1,2-d][1,4]oxazine-2-carbonitrile
CID 12909291
methyl 8-acetamido-4H-imidazo-[2,1-c][1,4]-benzoxazine-2-carboxylate
CID 12909300
methyl 8-(ethoxalylamino)-4H-imidazo-[2,1-c][1,4]-benzoxazine-2-carboxylate
CID 12909301
8-chloro-4H-imidazo-[2,1-c][1,4]-benzoxazine-2-carboxylic acid
CID 14067394
methyl 8-chloro-4H-imidazo-[2,1-c][1,4]-benzoxazine-2-carboxylate
CID 14067395

Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid?
The IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid (CID 12909287) is 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid.
What is the SMILES notation for 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid?
The canonical SMILES for 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid is O=C(O)c1cnc2n1-c1ccccc1OC2.
What is the InChIKey of 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid?
The InChIKey is QPNHPKIMMDOABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11(15)8-5-12-10-6-16-9-4-2-1-3-7(9)13(8)10/h1-5H,6H2,(H,14,15).
What are the key properties of 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid?
4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid is sourced from PubChem (CID 12909287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).