7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione

C18H17N5O3 — CID 5300284

IUPAC7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione
SMILESCCn1c(Oc2cccc3cccnc23)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H17N5O3/c1-4-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)26-12-9-5-7-11-8-6-10-19-13(11)12/h5-10H,4H2,1-3H3
InChIKeyHMBCFKQSOGZWDQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.79
Rot. Bonds3

About 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione

7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione (PubChem CID 5300284) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione
PubChem CID5300284
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione
SMILESCCn1c(Oc2cccc3cccnc23)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H17N5O3/c1-4-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)26-12-9-5-7-11-8-6-10-19-13(11)12/h5-10H,4H2,1-3H3
InChIKeyHMBCFKQSOGZWDQ-UHFFFAOYSA-N
XLogP1.79
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione?
The IUPAC name of 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione (CID 5300284) is 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione.
What is the SMILES notation for 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione?
The canonical SMILES for 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione is CCn1c(Oc2cccc3cccnc23)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione?
The InChIKey is HMBCFKQSOGZWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-4-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)26-12-9-5-7-11-8-6-10-19-13(11)12/h5-10H,4H2,1-3H3.
What are the key properties of 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione?
7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione has a molecular weight of 351.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,3-dimethyl-8-quinolin-8-yloxypurine-2,6-dione is sourced from PubChem (CID 5300284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).