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

C16H18N4O2 — CID 941125

IUPACN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide
SMILESCCn1nc(NC(=O)COC)c2cc3cccc(C)c3nc21
InChIInChI=1S/C16H18N4O2/c1-4-20-16-12(15(19-20)17-13(21)9-22-3)8-11-7-5-6-10(2)14(11)18-16/h5-8H,4,9H2,1-3H3,(H,17,19,21)
InChIKeyMGLNBJVECRQYOU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.50
Rot. Bonds4

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

N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide (PubChem CID 941125) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide
PubChem CID941125
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide
SMILESCCn1nc(NC(=O)COC)c2cc3cccc(C)c3nc21
InChIInChI=1S/C16H18N4O2/c1-4-20-16-12(15(19-20)17-13(21)9-22-3)8-11-7-5-6-10(2)14(11)18-16/h5-8H,4,9H2,1-3H3,(H,17,19,21)
InChIKeyMGLNBJVECRQYOU-UHFFFAOYSA-N
XLogP2.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide?
The IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide (CID 941125) is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide?
The canonical SMILES for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide is CCn1nc(NC(=O)COC)c2cc3cccc(C)c3nc21.
What is the InChIKey of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide?
The InChIKey is MGLNBJVECRQYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-20-16-12(15(19-20)17-13(21)9-22-3)8-11-7-5-6-10(2)14(11)18-16/h5-8H,4,9H2,1-3H3,(H,17,19,21).
What are the key properties of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide?
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide has a molecular weight of 298.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide is sourced from PubChem (CID 941125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).