2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one

C11H7BrN2O2 — CID 146638656

IUPAC2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one
SMILESCc1c(Br)nc2c(=O)oc3ccccc3n12
InChIInChI=1S/C11H7BrN2O2/c1-6-9(12)13-10-11(15)16-8-5-3-2-4-7(8)14(6)10/h2-5H,1H3
InChIKeyQAMDLRHWVRISHY-UHFFFAOYSA-N
MW279.09 g/mol
LogP2.51
Rot. Bonds

About 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one

2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one (PubChem CID 146638656) has the molecular formula C11H7BrN2O2 and a molecular weight of 279.09 g/mol. Its IUPAC name is 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one.

Molecular Properties

Compound Name2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one
PubChem CID146638656
Molecular FormulaC11H7BrN2O2
Molecular Weight279.09 g/mol
Exact Mass277.97
IUPAC Name2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one
SMILESCc1c(Br)nc2c(=O)oc3ccccc3n12
InChIInChI=1S/C11H7BrN2O2/c1-6-9(12)13-10-11(15)16-8-5-3-2-4-7(8)14(6)10/h2-5H,1H3
InChIKeyQAMDLRHWVRISHY-UHFFFAOYSA-N
XLogP2.51
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one?
The IUPAC name of 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one (CID 146638656) is 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one.
What is the SMILES notation for 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one?
The canonical SMILES for 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one is Cc1c(Br)nc2c(=O)oc3ccccc3n12.
What is the InChIKey of 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one?
The InChIKey is QAMDLRHWVRISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2/c1-6-9(12)13-10-11(15)16-8-5-3-2-4-7(8)14(6)10/h2-5H,1H3.
What are the key properties of 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one?
2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one has a molecular weight of 279.09 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methylimidazo[2,1-c][1,4]benzoxazin-4-one is sourced from PubChem (CID 146638656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).