2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol

C16H20N4O3 — CID 155250787

IUPAC2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol
SMILESCOc1ccc2nc3n[nH]c(C)c3c(NC(C)OCCO)c2c1
InChIInChI=1S/C16H20N4O3/c1-9-14-15(17-10(2)23-7-6-21)12-8-11(22-3)4-5-13(12)18-16(14)20-19-9/h4-5,8,10,21H,6-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyYWNIZLFHDZFMEM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.19
Rot. Bonds6

About 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol

2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol (PubChem CID 155250787) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol
PubChem CID155250787
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol
SMILESCOc1ccc2nc3n[nH]c(C)c3c(NC(C)OCCO)c2c1
InChIInChI=1S/C16H20N4O3/c1-9-14-15(17-10(2)23-7-6-21)12-8-11(22-3)4-5-13(12)18-16(14)20-19-9/h4-5,8,10,21H,6-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyYWNIZLFHDZFMEM-UHFFFAOYSA-N
XLogP2.19
TPSA92.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol 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 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol (CID 155250787) is 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol is COc1ccc2nc3n[nH]c(C)c3c(NC(C)OCCO)c2c1.
What is the InChIKey of 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol?
The InChIKey is YWNIZLFHDZFMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-14-15(17-10(2)23-7-6-21)12-8-11(22-3)4-5-13(12)18-16(14)20-19-9/h4-5,8,10,21H,6-7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol?
2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol has a molecular weight of 316.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 155250787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).