7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine

C16H19BrN4O — CID 126679808

IUPAC7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCN1CCN(Cc2cn3c(n2)COc2cc(Br)ccc2-3)CC1
InChIInChI=1S/C16H19BrN4O/c1-19-4-6-20(7-5-19)9-13-10-21-14-3-2-12(17)8-15(14)22-11-16(21)18-13/h2-3,8,10H,4-7,9,11H2,1H3
InChIKeyDWBQCHLZYDGTAB-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.27
Rot. Bonds2

About 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine

7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 126679808) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID126679808
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCN1CCN(Cc2cn3c(n2)COc2cc(Br)ccc2-3)CC1
InChIInChI=1S/C16H19BrN4O/c1-19-4-6-20(7-5-19)9-13-10-21-14-3-2-12(17)8-15(14)22-11-16(21)18-13/h2-3,8,10H,4-7,9,11H2,1H3
InChIKeyDWBQCHLZYDGTAB-UHFFFAOYSA-N
XLogP2.27
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine (CID 126679808) is 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine is CN1CCN(Cc2cn3c(n2)COc2cc(Br)ccc2-3)CC1.
What is the InChIKey of 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is DWBQCHLZYDGTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-19-4-6-20(7-5-19)9-13-10-21-14-3-2-12(17)8-15(14)22-11-16(21)18-13/h2-3,8,10H,4-7,9,11H2,1H3.
What are the key properties of 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 363.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 126679808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).