1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione

C20H20N4O3 — CID 11035880

IUPAC1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione
SMILESCCCn1c(=O)c2c(nc3cc(OC)ccn32)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyZOGPOQHYQBSBBL-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.28
Rot. Bonds5

About 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione

1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione (PubChem CID 11035880) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione
PubChem CID11035880
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione
SMILESCCCn1c(=O)c2c(nc3cc(OC)ccn32)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyZOGPOQHYQBSBBL-UHFFFAOYSA-N
XLogP2.28
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N1-((4-methoxyphenyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine (1:1)
CID 162821
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
CID 138393285
CID 138393285
4-[3-(8-Methoxy-2,4-dioxo-3-propylpurino[7,8-a]pyridin-1-yl)propylcarbamoyl]benzenesulfonyl fluoride
CID 155513958
3-(Cyclopropylmethyl)-8-methoxy-1-[(4-methylphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 24878975
3-(Cyclopropylmethyl)-8-methoxy-1-[(3-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 137635053
1-Benzyl-3-(cyclopropylmethyl)-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137639736
3-(Cyclopropylmethyl)-1-[(4-ethylphenyl)methyl]-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137644039
7-benzyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 665006
3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 9974009

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione?
The IUPAC name of 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione (CID 11035880) is 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione.
What is the SMILES notation for 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione?
The canonical SMILES for 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione is CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione?
The InChIKey is ZOGPOQHYQBSBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3.
What are the key properties of 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione?
1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione is sourced from PubChem (CID 11035880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).