5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione

C15H14F3N3O3 — CID 71817778

IUPAC5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCN1c2ccccc2C(O)(C(F)(F)F)c2c1n(C)c(=O)n(C)c2=O
InChIInChI=1S/C15H14F3N3O3/c1-19-9-7-5-4-6-8(9)14(24,15(16,17)18)10-11(19)20(2)13(23)21(3)12(10)22/h4-7,24H,1-3H3
InChIKeyIQRSNKAWQZSALB-UHFFFAOYSA-N
MW341.29 g/mol
LogP0.96
Rot. Bonds

About 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione

5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 71817778) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione
PubChem CID71817778
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCN1c2ccccc2C(O)(C(F)(F)F)c2c1n(C)c(=O)n(C)c2=O
InChIInChI=1S/C15H14F3N3O3/c1-19-9-7-5-4-6-8(9)14(24,15(16,17)18)10-11(19)20(2)13(23)21(3)12(10)22/h4-7,24H,1-3H3
InChIKeyIQRSNKAWQZSALB-UHFFFAOYSA-N
XLogP0.96
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione (CID 71817778) is 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione is CN1c2ccccc2C(O)(C(F)(F)F)c2c1n(C)c(=O)n(C)c2=O.
What is the InChIKey of 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is IQRSNKAWQZSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-19-9-7-5-4-6-8(9)14(24,15(16,17)18)10-11(19)20(2)13(23)21(3)12(10)22/h4-7,24H,1-3H3.
What are the key properties of 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione?
5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 341.29 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3,10-trimethyl-5-(trifluoromethyl)pyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 71817778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).