5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one

C16H14F3N3O3 — CID 3240753

IUPAC5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2ccc3ncccc3c2)NC(=O)NC1(O)C(F)(F)F
InChIInChI=1S/C16H14F3N3O3/c1-8(23)12-13(21-14(24)22-15(12,25)16(17,18)19)10-4-5-11-9(7-10)3-2-6-20-11/h2-7,12-13,25H,1H3,(H2,21,22,24)
InChIKeyJLCFJNZTUINILZ-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.04
Rot. Bonds2

About 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one

5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 3240753) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID3240753
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCC(=O)C1C(c2ccc3ncccc3c2)NC(=O)NC1(O)C(F)(F)F
InChIInChI=1S/C16H14F3N3O3/c1-8(23)12-13(21-14(24)22-15(12,25)16(17,18)19)10-4-5-11-9(7-10)3-2-6-20-11/h2-7,12-13,25H,1H3,(H2,21,22,24)
InChIKeyJLCFJNZTUINILZ-UHFFFAOYSA-N
XLogP2.04
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 3240753) is 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one is CC(=O)C1C(c2ccc3ncccc3c2)NC(=O)NC1(O)C(F)(F)F.
What is the InChIKey of 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is JLCFJNZTUINILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-8(23)12-13(21-14(24)22-15(12,25)16(17,18)19)10-4-5-11-9(7-10)3-2-6-20-11/h2-7,12-13,25H,1H3,(H2,21,22,24).
What are the key properties of 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 353.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-hydroxy-6-quinolin-6-yl-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 3240753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).