6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one

C22H17N5O3 — CID 8521216

IUPAC6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)ccc2N1
InChIInChI=1S/C22H17N5O3/c28-19(15-6-8-18-14(10-15)7-9-20(29)25-18)12-26-13-23-21-17(22(26)30)11-24-27(21)16-4-2-1-3-5-16/h1-6,8,10-11,13H,7,9,12H2,(H,25,29)
InChIKeyVOGWQZWYLMZGAJ-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.35
Rot. Bonds4

About 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 8521216) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID8521216
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)ccc2N1
InChIInChI=1S/C22H17N5O3/c28-19(15-6-8-18-14(10-15)7-9-20(29)25-18)12-26-13-23-21-17(22(26)30)11-24-27(21)16-4-2-1-3-5-16/h1-6,8,10-11,13H,7,9,12H2,(H,25,29)
InChIKeyVOGWQZWYLMZGAJ-UHFFFAOYSA-N
XLogP2.35
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[2-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716
5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 8747571
7-fluoro-3-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]quinazolin-4-one
CID 40743944
1-(3-chlorophenyl)-5-[2-(4-chlorophenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243770
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1088466
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 55377591
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
CID 7679888
5-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160468
N-(cyclohexylmethyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679733
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
N-(3-acetylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679719

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one (CID 8521216) is 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)ccc2N1.
What is the InChIKey of 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VOGWQZWYLMZGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c28-19(15-6-8-18-14(10-15)7-9-20(29)25-18)12-26-13-23-21-17(22(26)30)11-24-27(21)16-4-2-1-3-5-16/h1-6,8,10-11,13H,7,9,12H2,(H,25,29).
What are the key properties of 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 399.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 8521216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).