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

C16H18N4O — CID 944850

IUPACN-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
SMILESCCCn1nc(NC(C)=O)c2cc3cccc(C)c3nc21
InChIInChI=1S/C16H18N4O/c1-4-8-20-16-13(15(19-20)17-11(3)21)9-12-7-5-6-10(2)14(12)18-16/h5-7,9H,4,8H2,1-3H3,(H,17,19,21)
InChIKeyHNSAHXTVBWYOOL-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.26
Rot. Bonds3

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

N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide (PubChem CID 944850) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
PubChem CID944850
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
SMILESCCCn1nc(NC(C)=O)c2cc3cccc(C)c3nc21
InChIInChI=1S/C16H18N4O/c1-4-8-20-16-13(15(19-20)17-11(3)21)9-12-7-5-6-10(2)14(12)18-16/h5-7,9H,4,8H2,1-3H3,(H,17,19,21)
InChIKeyHNSAHXTVBWYOOL-UHFFFAOYSA-N
XLogP3.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The IUPAC name of N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide (CID 944850) is N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide.
What is the SMILES notation for N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The canonical SMILES for N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide is CCCn1nc(NC(C)=O)c2cc3cccc(C)c3nc21.
What is the InChIKey of N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The InChIKey is HNSAHXTVBWYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-8-20-16-13(15(19-20)17-11(3)21)9-12-7-5-6-10(2)14(12)18-16/h5-7,9H,4,8H2,1-3H3,(H,17,19,21).
What are the key properties of N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide has a molecular weight of 282.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide is sourced from PubChem (CID 944850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).