6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one

C16H12N4O3 — CID 167987804

IUPAC6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2c(=O)n(Cc3ccc(O)c4ncccc34)cnc2o1
InChIInChI=1S/C16H12N4O3/c1-9-19-14-15(23-9)18-8-20(16(14)22)7-10-4-5-12(21)13-11(10)3-2-6-17-13/h2-6,8,21H,7H2,1H3
InChIKeyQASRJQGDCCRZMZ-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.00
Rot. Bonds2

About 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one

6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one (PubChem CID 167987804) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one
PubChem CID167987804
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2c(=O)n(Cc3ccc(O)c4ncccc34)cnc2o1
InChIInChI=1S/C16H12N4O3/c1-9-19-14-15(23-9)18-8-20(16(14)22)7-10-4-5-12(21)13-11(10)3-2-6-17-13/h2-6,8,21H,7H2,1H3
InChIKeyQASRJQGDCCRZMZ-UHFFFAOYSA-N
XLogP2.00
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one (CID 167987804) is 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one is Cc1nc2c(=O)n(Cc3ccc(O)c4ncccc34)cnc2o1.
What is the InChIKey of 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one?
The InChIKey is QASRJQGDCCRZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-9-19-14-15(23-9)18-8-20(16(14)22)7-10-4-5-12(21)13-11(10)3-2-6-17-13/h2-6,8,21H,7H2,1H3.
What are the key properties of 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one?
6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one has a molecular weight of 308.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-hydroxyquinolin-5-yl)methyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 167987804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).