7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

C13H11N3O2 — CID 171559673

IUPAC7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC(=O)c1ccc2c(c1)[nH]c(=O)c1cnn(C)c12
InChIInChI=1S/C13H11N3O2/c1-7(17)8-3-4-9-11(5-8)15-13(18)10-6-14-16(2)12(9)10/h3-6H,1-2H3,(H,15,18)
InChIKeyGZXQBMJFCRYLNP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.62
Rot. Bonds1

About 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 171559673) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID171559673
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCC(=O)c1ccc2c(c1)[nH]c(=O)c1cnn(C)c12
InChIInChI=1S/C13H11N3O2/c1-7(17)8-3-4-9-11(5-8)15-13(18)10-6-14-16(2)12(9)10/h3-6H,1-2H3,(H,15,18)
InChIKeyGZXQBMJFCRYLNP-UHFFFAOYSA-N
XLogP1.62
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2H,4H,5H-pyrazolo(3,4-c)quinolin-4-one
CID 4962866
2-benzyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10636110
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10588437
2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10731097
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850362
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 5309500
KC 764
CID 146826
N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
CID 5309862
N-(4-acetylphenyl)-3-pyrazolo[1,5-a]pyridinecarboxamide
CID 9550955
N-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 9550983
2-o-Tolyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
CID 10826246

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 171559673) is 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is CC(=O)c1ccc2c(c1)[nH]c(=O)c1cnn(C)c12.
What is the InChIKey of 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is GZXQBMJFCRYLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7(17)8-3-4-9-11(5-8)15-13(18)10-6-14-16(2)12(9)10/h3-6H,1-2H3,(H,15,18).
What are the key properties of 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 241.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171559673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).