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

C15H16N4O — CID 940499

IUPACN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
SMILESCCn1nc(NC(C)=O)c2cc3cccc(C)c3nc21
InChIInChI=1S/C15H16N4O/c1-4-19-15-12(14(18-19)16-10(3)20)8-11-7-5-6-9(2)13(11)17-15/h5-8H,4H2,1-3H3,(H,16,18,20)
InChIKeyKPWNDLFOVRZKSL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.87
Rot. Bonds2

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

N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide (PubChem CID 940499) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
PubChem CID940499
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
SMILESCCn1nc(NC(C)=O)c2cc3cccc(C)c3nc21
InChIInChI=1S/C15H16N4O/c1-4-19-15-12(14(18-19)16-10(3)20)8-11-7-5-6-9(2)13(11)17-15/h5-8H,4H2,1-3H3,(H,16,18,20)
InChIKeyKPWNDLFOVRZKSL-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide (CID 940499) is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The canonical SMILES for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide is CCn1nc(NC(C)=O)c2cc3cccc(C)c3nc21.
What is the InChIKey of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
The InChIKey is KPWNDLFOVRZKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-4-19-15-12(14(18-19)16-10(3)20)8-11-7-5-6-9(2)13(11)17-15/h5-8H,4H2,1-3H3,(H,16,18,20).
What are the key properties of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide?
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide is sourced from PubChem (CID 940499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).