5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione

C22H25N5O4S — CID 11144901

IUPAC5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCCCn1c(=O)c2cn(S(=O)(=O)c3cccc4cccnc34)nc2n(CCCC)c1=O
InChIInChI=1S/C22H25N5O4S/c1-3-5-13-25-20-17(21(28)26(22(25)29)14-6-4-2)15-27(24-20)32(30,31)18-11-7-9-16-10-8-12-23-19(16)18/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyHVWOJPJZLWNSJL-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.75
Rot. Bonds8

About 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione

5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 11144901) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID11144901
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Name5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCCCn1c(=O)c2cn(S(=O)(=O)c3cccc4cccnc34)nc2n(CCCC)c1=O
InChIInChI=1S/C22H25N5O4S/c1-3-5-13-25-20-17(21(28)26(22(25)29)14-6-4-2)15-27(24-20)32(30,31)18-11-7-9-16-10-8-12-23-19(16)18/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyHVWOJPJZLWNSJL-UHFFFAOYSA-N
XLogP2.75
TPSA108.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione with MolForge

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Related Compounds

1-dodecanoyl-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 4210945
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-butylquinoline-8-sulfonamide
CID 2068304
N-hydroxy-1-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine oxide
CID 21143598
1-(4-pentylbenzoyl)-3-quinolin-8-ylsulfonylbenzimidazol-2-one
CID 42792238
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-methylsulfanylsulfonylquinoline
CID 913226
2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one
CID 135545644
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
1-butyl-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240386
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
CID 90556457

Frequently Asked Questions

What is the IUPAC name of 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione (CID 11144901) is 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione is CCCCn1c(=O)c2cn(S(=O)(=O)c3cccc4cccnc34)nc2n(CCCC)c1=O.
What is the InChIKey of 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is HVWOJPJZLWNSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-3-5-13-25-20-17(21(28)26(22(25)29)14-6-4-2)15-27(24-20)32(30,31)18-11-7-9-16-10-8-12-23-19(16)18/h7-12,15H,3-6,13-14H2,1-2H3.
What are the key properties of 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione?
5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 455.54 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 11144901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).