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

C12H10N2O3 — CID 14067398

IUPAC4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESCC1Oc2ccccc2-n2cc(C(=O)O)nc21
InChIInChI=1S/C12H10N2O3/c1-7-11-13-8(12(15)16)6-14(11)9-4-2-3-5-10(9)17-7/h2-7H,1H3,(H,15,16)
InChIKeyMDMSIXNZTBZMLW-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.02
Rot. Bonds1

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

4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (PubChem CID 14067398) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
PubChem CID14067398
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESCC1Oc2ccccc2-n2cc(C(=O)O)nc21
InChIInChI=1S/C12H10N2O3/c1-7-11-13-8(12(15)16)6-14(11)9-4-2-3-5-10(9)17-7/h2-7H,1H3,(H,15,16)
InChIKeyMDMSIXNZTBZMLW-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The IUPAC name of 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (CID 14067398) is 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The canonical SMILES for 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is CC1Oc2ccccc2-n2cc(C(=O)O)nc21.
What is the InChIKey of 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The InChIKey is MDMSIXNZTBZMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-11-13-8(12(15)16)6-14(11)9-4-2-3-5-10(9)17-7/h2-7H,1H3,(H,15,16).
What are the key properties of 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is sourced from PubChem (CID 14067398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).