N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide

C21H20N4O2 — CID 3162714

IUPACN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
SMILESCCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C21H20N4O2/c1-3-25-21-17(12-15-6-4-5-7-18(15)22-21)20(24-25)23-19(26)13-27-16-10-8-14(2)9-11-16/h4-12H,3,13H2,1-2H3,(H,23,24,26)
InChIKeyQQLREOWWLYAGEG-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.93
Rot. Bonds5

About N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 3162714) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
PubChem CID3162714
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
SMILESCCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C21H20N4O2/c1-3-25-21-17(12-15-6-4-5-7-18(15)22-21)20(24-25)23-19(26)13-27-16-10-8-14(2)9-11-16/h4-12H,3,13H2,1-2H3,(H,23,24,26)
InChIKeyQQLREOWWLYAGEG-UHFFFAOYSA-N
XLogP3.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide
CID 17101071
2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 17101011
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337
2-[[2-(4-methylphenoxy)acetyl]amino]benzenethiolate
CID 135820587
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
N-[2-(dimethylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 39130421
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
N-[2-[acetyl(methyl)amino]phenyl]-2-(4-methylphenoxy)acetamide
CID 113093784
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 19290341

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide (CID 3162714) is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide is CCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is QQLREOWWLYAGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-25-21-17(12-15-6-4-5-7-18(15)22-21)20(24-25)23-19(26)13-27-16-10-8-14(2)9-11-16/h4-12H,3,13H2,1-2H3,(H,23,24,26).
What are the key properties of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide?
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 3162714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).