8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione

C14H9N5O3 — CID 46186590

IUPAC8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2[nH]1
InChIInChI=1S/C14H9N5O3/c20-12-7(5-6-3-1-2-4-8(6)15-12)10-16-9-11(17-10)18-14(22)19-13(9)21/h1-5H,(H,15,20)(H3,16,17,18,19,21,22)
InChIKeyRHBSCCVJCASAIP-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.45
Rot. Bonds1

About 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione

8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione (PubChem CID 46186590) has the molecular formula C14H9N5O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione
PubChem CID46186590
Molecular FormulaC14H9N5O3
Molecular Weight295.26 g/mol
Exact Mass295.07
IUPAC Name8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2[nH]1
InChIInChI=1S/C14H9N5O3/c20-12-7(5-6-3-1-2-4-8(6)15-12)10-16-9-11(17-10)18-14(22)19-13(9)21/h1-5H,(H,15,20)(H3,16,17,18,19,21,22)
InChIKeyRHBSCCVJCASAIP-UHFFFAOYSA-N
XLogP0.45
TPSA127.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione (CID 46186590) is 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione is O=c1[nH]c(=O)c2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2[nH]1.
What is the InChIKey of 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione?
The InChIKey is RHBSCCVJCASAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O3/c20-12-7(5-6-3-1-2-4-8(6)15-12)10-16-9-11(17-10)18-14(22)19-13(9)21/h1-5H,(H,15,20)(H3,16,17,18,19,21,22).
What are the key properties of 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione?
8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione has a molecular weight of 295.26 g/mol, XLogP of 0.45, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-oxo-1H-quinolin-3-yl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 46186590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).