2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide

C21H19ClN4O2 — CID 17101011

IUPAC2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
SMILESCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C21H19ClN4O2/c1-3-26-21-17(11-14-6-4-5-13(2)19(14)24-21)20(25-26)23-18(27)12-28-16-9-7-15(22)8-10-16/h4-11H,3,12H2,1-2H3,(H,23,25,27)
InChIKeyDALXLXBQVXYNHR-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.58
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide

2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide (PubChem CID 17101011) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
PubChem CID17101011
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
SMILESCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C21H19ClN4O2/c1-3-26-21-17(11-14-6-4-5-13(2)19(14)24-21)20(25-26)23-18(27)12-28-16-9-7-15(22)8-10-16/h4-11H,3,12H2,1-2H3,(H,23,25,27)
InChIKeyDALXLXBQVXYNHR-UHFFFAOYSA-N
XLogP4.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide
CID 17101071
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1399895
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
N-(5-amino-3-methyl-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 115910719
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 943803

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide (CID 17101011) is 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide is CCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cccc(C)c3nc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The InChIKey is DALXLXBQVXYNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-3-26-21-17(11-14-6-4-5-13(2)19(14)24-21)20(25-26)23-18(27)12-28-16-9-7-15(22)8-10-16/h4-11H,3,12H2,1-2H3,(H,23,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide has a molecular weight of 394.86 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide is sourced from PubChem (CID 17101011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).