2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one

C18H16N4O2 — CID 135964389

IUPAC2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one
SMILESCCOc1ccccc1-c1nc2c(nc3cccc(C)n32)c(=O)[nH]1
InChIInChI=1S/C18H16N4O2/c1-3-24-13-9-5-4-8-12(13)16-20-17-15(18(23)21-16)19-14-10-6-7-11(2)22(14)17/h4-10H,3H2,1-2H3,(H,20,21,23)
InChIKeyBLNPMBSMPIBJGY-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.94
Rot. Bonds3

About 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one

2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one (PubChem CID 135964389) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one
PubChem CID135964389
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one
SMILESCCOc1ccccc1-c1nc2c(nc3cccc(C)n32)c(=O)[nH]1
InChIInChI=1S/C18H16N4O2/c1-3-24-13-9-5-4-8-12(13)16-20-17-15(18(23)21-16)19-14-10-6-7-11(2)22(14)17/h4-10H,3H2,1-2H3,(H,20,21,23)
InChIKeyBLNPMBSMPIBJGY-UHFFFAOYSA-N
XLogP2.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Desulfovardenafil
CID 135406983
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
8-(Benzyl(methyl)amino)-3-ME-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 664757
8-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 76325371
7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
CID 662512
8-(4-Ethoxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 936373
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073190
compound 5a (PMID: 27536893)
CID 7196946
2-(4-ethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7422842
8-(2-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 9994131
8-[2-(2-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
CID 10404099
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-methyl-N-phenyl-acetamide
CID 10648228

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one (CID 135964389) is 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one is CCOc1ccccc1-c1nc2c(nc3cccc(C)n32)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one?
The InChIKey is BLNPMBSMPIBJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-3-24-13-9-5-4-8-12(13)16-20-17-15(18(23)21-16)19-14-10-6-7-11(2)22(14)17/h4-10H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one?
2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-9-methyl-3H-purino[9,8-a]pyridin-4-one is sourced from PubChem (CID 135964389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).