5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one

C18H20N4O2 — CID 170055847

IUPAC5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one
SMILESCc1cc(O)cc2ccc(-c3cnc(NC(C)C)n(C)c3=O)nc12
InChIInChI=1S/C18H20N4O2/c1-10(2)20-18-19-9-14(17(24)22(18)4)15-6-5-12-8-13(23)7-11(3)16(12)21-15/h5-10,23H,1-4H3,(H,19,20)
InChIKeyYQRQCGGAXKPCMI-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.83
Rot. Bonds3

About 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one

5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one (PubChem CID 170055847) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one.

Molecular Properties

Compound Name5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one
PubChem CID170055847
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one
SMILESCc1cc(O)cc2ccc(-c3cnc(NC(C)C)n(C)c3=O)nc12
InChIInChI=1S/C18H20N4O2/c1-10(2)20-18-19-9-14(17(24)22(18)4)15-6-5-12-8-13(23)7-11(3)16(12)21-15/h5-10,23H,1-4H3,(H,19,20)
InChIKeyYQRQCGGAXKPCMI-UHFFFAOYSA-N
XLogP2.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one?
The IUPAC name of 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one (CID 170055847) is 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one.
What is the SMILES notation for 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one?
The canonical SMILES for 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one is Cc1cc(O)cc2ccc(-c3cnc(NC(C)C)n(C)c3=O)nc12.
What is the InChIKey of 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one?
The InChIKey is YQRQCGGAXKPCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10(2)20-18-19-9-14(17(24)22(18)4)15-6-5-12-8-13(23)7-11(3)16(12)21-15/h5-10,23H,1-4H3,(H,19,20).
What are the key properties of 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one?
5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one has a molecular weight of 324.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-8-methylquinolin-2-yl)-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one is sourced from PubChem (CID 170055847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).