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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Related Compounds

tetrazolo[5,1-c][1,4]benzoxazin-4-one
CID 11095347
3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 951231
2-bromo-5-tert-butyl-3-methylimidazo[2,1-a]isoquinoline
CID 71180002
iridium;3-(1-methylbenzimidazol-2-yl)-4H-chromen-4-id-2-one
CID 59302092
1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one
CID 90154793
3-trimethylsilylchromen-2-one
CID 71378789
1,2-dimethylchromeno[3,4-d]imidazol-4-one
CID 773639
3-amino-1,3-benzoxazol-2-one
CID 11412466
2-(1-benzofuran-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridin-3-amine
CID 79041234
3,20-dioxa-17,34-ditellura-10,27-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene
CID 172539440
(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide
CID 69238074
11-(2-methylphenyl)-14-oxa-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4899991

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).