7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one

C23H22N4O2 — CID 73293163

IUPAC7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one
SMILESO=c1n(Cc2ccccc2)c2c(Oc3ccccc3)ncnc2n1C1CCCC1
InChIInChI=1S/C23H22N4O2/c28-23-26(15-17-9-3-1-4-10-17)20-21(27(23)18-11-7-8-12-18)24-16-25-22(20)29-19-13-5-2-6-14-19/h1-6,9-10,13-14,16,18H,7-8,11-12,15H2
InChIKeyIWEHZMOLKVQODL-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.55
Rot. Bonds5

About 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one

7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one (PubChem CID 73293163) has the molecular formula C23H22N4O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one.

Molecular Properties

Compound Name7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one
PubChem CID73293163
Molecular FormulaC23H22N4O2
Molecular Weight386.45 g/mol
Exact Mass386.17
IUPAC Name7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one
SMILESO=c1n(Cc2ccccc2)c2c(Oc3ccccc3)ncnc2n1C1CCCC1
InChIInChI=1S/C23H22N4O2/c28-23-26(15-17-9-3-1-4-10-17)20-21(27(23)18-11-7-8-12-18)24-16-25-22(20)29-19-13-5-2-6-14-19/h1-6,9-10,13-14,16,18H,7-8,11-12,15H2
InChIKeyIWEHZMOLKVQODL-UHFFFAOYSA-N
XLogP4.55
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-benzyl-9-methyl-6-phenoxypurin-8-one
CID 73293008
9-benzyl-6-phenoxy-7H-purin-8-one
CID 141247328
7,9-dibenzyl-6-methoxypurin-8-one
CID 73292843
9-benzyl-7-ethyl-6-methoxypurin-8-one
CID 73293343
6-amino-9-(1-aminopiperidin-4-yl)-7-(4-phenoxyphenyl)purin-8-one
CID 130300783
1-benzyl-3-cyclohexyl-4-hydroxy-5-(2-phenylethyl)imidazol-2-one
CID 90883448
6-amino-9-[1-(7-aminoheptyl)piperidin-4-yl]-7-(4-phenoxyphenyl)purin-8-one;hydrochloride
CID 170946728
6-chloro-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 12968172
6-(hydroxyamino)-7-(4-phenoxyphenyl)-9-(1-prop-2-enoylpyrrolidin-3-yl)purin-8-one
CID 129032329
6-amino-9-[1-[2-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]piperidin-4-yl]-7-(4-phenoxyphenyl)purin-8-one
CID 176904011
7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 42862792
6-amino-7-(4-phenoxyphenyl)-9-[1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidin-4-yl]purin-8-one;hydrochloride
CID 175992119

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one?
The IUPAC name of 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one (CID 73293163) is 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one.
What is the SMILES notation for 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one?
The canonical SMILES for 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one is O=c1n(Cc2ccccc2)c2c(Oc3ccccc3)ncnc2n1C1CCCC1.
What is the InChIKey of 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one?
The InChIKey is IWEHZMOLKVQODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-23-26(15-17-9-3-1-4-10-17)20-21(27(23)18-11-7-8-12-18)24-16-25-22(20)29-19-13-5-2-6-14-19/h1-6,9-10,13-14,16,18H,7-8,11-12,15H2.
What are the key properties of 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one?
7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one has a molecular weight of 386.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-9-cyclopentyl-6-phenoxypurin-8-one is sourced from PubChem (CID 73293163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).