6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol

C23H28FN7O4 — CID 145260873

IUPAC6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol
SMILESCOc1cnc2ccc(F)c(CNC3CCCCC3O)c2n1.NCc1cnc2c(n1)NC(=O)CO2
InChIInChI=1S/C16H20FN3O2.C7H8N4O2/c1-22-15-9-19-13-7-6-11(17)10(16(13)20-15)8-18-12-4-2-3-5-14(12)21;8-1-4-2-9-7-6(10-4)11-5(12)3-13-7/h6-7,9,12,14,18,21H,2-5,8H2,1H3;2H,1,3,8H2,(H,10,11,12)
InChIKeyXDTCBEGNMJNSSN-UHFFFAOYSA-N
MW485.52 g/mol
LogP1.44
Rot. Bonds5

About 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol

6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 145260873) has the molecular formula C23H28FN7O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol
PubChem CID145260873
Molecular FormulaC23H28FN7O4
Molecular Weight485.52 g/mol
Exact Mass485.22
IUPAC Name6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol
SMILESCOc1cnc2ccc(F)c(CNC3CCCCC3O)c2n1.NCc1cnc2c(n1)NC(=O)CO2
InChIInChI=1S/C16H20FN3O2.C7H8N4O2/c1-22-15-9-19-13-7-6-11(17)10(16(13)20-15)8-18-12-4-2-3-5-14(12)21;8-1-4-2-9-7-6(10-4)11-5(12)3-13-7/h6-7,9,12,14,18,21H,2-5,8H2,1H3;2H,1,3,8H2,(H,10,11,12)
InChIKeyXDTCBEGNMJNSSN-UHFFFAOYSA-N
XLogP1.44
TPSA157.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol 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 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol (CID 145260873) is 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol is COc1cnc2ccc(F)c(CNC3CCCCC3O)c2n1.NCc1cnc2c(n1)NC(=O)CO2.
What is the InChIKey of 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is XDTCBEGNMJNSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.C7H8N4O2/c1-22-15-9-19-13-7-6-11(17)10(16(13)20-15)8-18-12-4-2-3-5-14(12)21;8-1-4-2-9-7-6(10-4)11-5(12)3-13-7/h6-7,9,12,14,18,21H,2-5,8H2,1H3;2H,1,3,8H2,(H,10,11,12).
What are the key properties of 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol?
6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 485.52 g/mol, XLogP of 1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4H-pyrazino[2,3-b][1,4]oxazin-3-one;2-[(6-fluoro-3-methoxyquinoxalin-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 145260873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).