4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one

C14H19N3O2 — CID 116829262

IUPAC4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one
SMILESCC1NCCNC1c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C14H19N3O2/c1-9-14(16-6-5-15-9)10-3-4-12-11(7-10)17(2)13(18)8-19-12/h3-4,7,9,14-16H,5-6,8H2,1-2H3
InChIKeyGHPMDQWQGJVEHR-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.66
Rot. Bonds1

About 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one

4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one (PubChem CID 116829262) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one
PubChem CID116829262
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one
SMILESCC1NCCNC1c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C14H19N3O2/c1-9-14(16-6-5-15-9)10-3-4-12-11(7-10)17(2)13(18)8-19-12/h3-4,7,9,14-16H,5-6,8H2,1-2H3
InChIKeyGHPMDQWQGJVEHR-UHFFFAOYSA-N
XLogP0.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one 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 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one (CID 116829262) is 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one is CC1NCCNC1c1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one?
The InChIKey is GHPMDQWQGJVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-14(16-6-5-15-9)10-3-4-12-11(7-10)17(2)13(18)8-19-12/h3-4,7,9,14-16H,5-6,8H2,1-2H3.
What are the key properties of 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one?
4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one has a molecular weight of 261.32 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 116829262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).