2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide

C17H20N4O2 — CID 941013

IUPAC2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
SMILESCCCn1nc(NC(=O)COC)c2cc3cccc(C)c3nc21
InChIInChI=1S/C17H20N4O2/c1-4-8-21-17-13(16(20-21)18-14(22)10-23-3)9-12-7-5-6-11(2)15(12)19-17/h5-7,9H,4,8,10H2,1-3H3,(H,18,20,22)
InChIKeyZOXFMZGYMPZXHD-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.89
Rot. Bonds5

About 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide

2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide (PubChem CID 941013) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
PubChem CID941013
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
SMILESCCCn1nc(NC(=O)COC)c2cc3cccc(C)c3nc21
InChIInChI=1S/C17H20N4O2/c1-4-8-21-17-13(16(20-21)18-14(22)10-23-3)9-12-7-5-6-11(2)15(12)19-17/h5-7,9H,4,8,10H2,1-3H3,(H,18,20,22)
InChIKeyZOXFMZGYMPZXHD-UHFFFAOYSA-N
XLogP2.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The IUPAC name of 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide (CID 941013) is 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide is CCCn1nc(NC(=O)COC)c2cc3cccc(C)c3nc21.
What is the InChIKey of 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The InChIKey is ZOXFMZGYMPZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-8-21-17-13(16(20-21)18-14(22)10-23-3)9-12-7-5-6-11(2)15(12)19-17/h5-7,9H,4,8,10H2,1-3H3,(H,18,20,22).
What are the key properties of 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide is sourced from PubChem (CID 941013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).