methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate

C12H9ClN2O3 — CID 14067395

IUPACmethyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)COc1ccc(Cl)cc1-2
InChIInChI=1S/C12H9ClN2O3/c1-17-12(16)8-5-15-9-4-7(13)2-3-10(9)18-6-11(15)14-8/h2-5H,6H2,1H3
InChIKeyDRQHQISCTYWTSD-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.20
Rot. Bonds1

About methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate

methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate (PubChem CID 14067395) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
PubChem CID14067395
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Namemethyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)COc1ccc(Cl)cc1-2
InChIInChI=1S/C12H9ClN2O3/c1-17-12(16)8-5-15-9-4-7(13)2-3-10(9)18-6-11(15)14-8/h2-5H,6H2,1H3
InChIKeyDRQHQISCTYWTSD-UHFFFAOYSA-N
XLogP2.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The IUPAC name of methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate (CID 14067395) is methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate.
What is the SMILES notation for methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The canonical SMILES for methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate is COC(=O)c1cn2c(n1)COc1ccc(Cl)cc1-2.
What is the InChIKey of methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The InChIKey is DRQHQISCTYWTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-17-12(16)8-5-15-9-4-7(13)2-3-10(9)18-6-11(15)14-8/h2-5H,6H2,1H3.
What are the key properties of methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate has a molecular weight of 264.67 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate is sourced from PubChem (CID 14067395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).