2-pyrazolo[3,4-b]quinolin-1-ylacetamide

C12H10N4O — CID 91017787

IUPAC2-pyrazolo[3,4-b]quinolin-1-ylacetamide
SMILESNC(=O)Cn1ncc2cc3ccccc3nc21
InChIInChI=1S/C12H10N4O/c13-11(17)7-16-12-9(6-14-16)5-8-3-1-2-4-10(8)15-12/h1-6H,7H2,(H2,13,17)
InChIKeyRKMDIANKTJWJSA-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.07
Rot. Bonds2

About 2-pyrazolo[3,4-b]quinolin-1-ylacetamide

2-pyrazolo[3,4-b]quinolin-1-ylacetamide (PubChem CID 91017787) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-pyrazolo[3,4-b]quinolin-1-ylacetamide.

Molecular Properties

Compound Name2-pyrazolo[3,4-b]quinolin-1-ylacetamide
PubChem CID91017787
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-pyrazolo[3,4-b]quinolin-1-ylacetamide
SMILESNC(=O)Cn1ncc2cc3ccccc3nc21
InChIInChI=1S/C12H10N4O/c13-11(17)7-16-12-9(6-14-16)5-8-3-1-2-4-10(8)15-12/h1-6H,7H2,(H2,13,17)
InChIKeyRKMDIANKTJWJSA-UHFFFAOYSA-N
XLogP1.07
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tetrasodium;dioxido-oxo-(1-phosphonato-2-pyrazolo[3,4-b]quinolin-1-ylethyl)-λ5-phosphane
CID 132605410
2-pyrazolo[5,4-c]pyridin-1-ylacetamide
CID 89216977
1-pyridin-4-ylpyrazolo[3,4-b]quinoline
CID 152709994
2-quinolin-2-ylsulfanylacetamide
CID 2056006
acridine
CID 21226281
3-quinolin-3-yloxypropanamide
CID 107388241
acridine;2,2-diphenylacetic acid
CID 139120811
acridine-4-carboxamide
CID 3025721
acridine;methane
CID 21324126
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;dihydrate
CID 172843020

Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[3,4-b]quinolin-1-ylacetamide?
The IUPAC name of 2-pyrazolo[3,4-b]quinolin-1-ylacetamide (CID 91017787) is 2-pyrazolo[3,4-b]quinolin-1-ylacetamide.
What is the SMILES notation for 2-pyrazolo[3,4-b]quinolin-1-ylacetamide?
The canonical SMILES for 2-pyrazolo[3,4-b]quinolin-1-ylacetamide is NC(=O)Cn1ncc2cc3ccccc3nc21.
What is the InChIKey of 2-pyrazolo[3,4-b]quinolin-1-ylacetamide?
The InChIKey is RKMDIANKTJWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-11(17)7-16-12-9(6-14-16)5-8-3-1-2-4-10(8)15-12/h1-6H,7H2,(H2,13,17).
What are the key properties of 2-pyrazolo[3,4-b]quinolin-1-ylacetamide?
2-pyrazolo[3,4-b]quinolin-1-ylacetamide has a molecular weight of 226.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[3,4-b]quinolin-1-ylacetamide is sourced from PubChem (CID 91017787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).