[4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol

C17H23N3O2 — CID 126783897

IUPAC[4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol
SMILESCc1nc2ccccc2nc1CN(C)C1(CO)CCOCC1
InChIInChI=1S/C17H23N3O2/c1-13-16(19-15-6-4-3-5-14(15)18-13)11-20(2)17(12-21)7-9-22-10-8-17/h3-6,21H,7-12H2,1-2H3
InChIKeyYJAGCNBLMARURG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.91
Rot. Bonds4

About [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol

[4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol (PubChem CID 126783897) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol
PubChem CID126783897
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol
SMILESCc1nc2ccccc2nc1CN(C)C1(CO)CCOCC1
InChIInChI=1S/C17H23N3O2/c1-13-16(19-15-6-4-3-5-14(15)18-13)11-20(2)17(12-21)7-9-22-10-8-17/h3-6,21H,7-12H2,1-2H3
InChIKeyYJAGCNBLMARURG-UHFFFAOYSA-N
XLogP1.91
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol 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-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol?
The IUPAC name of [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol (CID 126783897) is [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol is Cc1nc2ccccc2nc1CN(C)C1(CO)CCOCC1.
What is the InChIKey of [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol?
The InChIKey is YJAGCNBLMARURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-16(19-15-6-4-3-5-14(15)18-13)11-20(2)17(12-21)7-9-22-10-8-17/h3-6,21H,7-12H2,1-2H3.
What are the key properties of [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol?
[4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol has a molecular weight of 301.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[(3-methylquinoxalin-2-yl)methyl]amino]oxan-4-yl]methanol is sourced from PubChem (CID 126783897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).