3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one

C15H14F3N3O3 — CID 130358797

IUPAC3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one
SMILESCc1nc2cccc(C(F)(F)F)c2c(=O)n1C1CCC(=O)NC1O
InChIInChI=1S/C15H14F3N3O3/c1-7-19-9-4-2-3-8(15(16,17)18)12(9)14(24)21(7)10-5-6-11(22)20-13(10)23/h2-4,10,13,23H,5-6H2,1H3,(H,20,22)
InChIKeyGBNYWNYBGRBLJA-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.49
Rot. Bonds1

About 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one

3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one (PubChem CID 130358797) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one
PubChem CID130358797
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one
SMILESCc1nc2cccc(C(F)(F)F)c2c(=O)n1C1CCC(=O)NC1O
InChIInChI=1S/C15H14F3N3O3/c1-7-19-9-4-2-3-8(15(16,17)18)12(9)14(24)21(7)10-5-6-11(22)20-13(10)23/h2-4,10,13,23H,5-6H2,1H3,(H,20,22)
InChIKeyGBNYWNYBGRBLJA-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
CID 156578298
6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
CID 167278710
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-(azetidin-3-yl)-2-chloro-5-(trifluoromethyl)quinazolin-4-one
CID 117263497
3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
CID 24967597
(3S)-3-deuterio-3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 90336474
[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
1-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 123373711
ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 144585990
N-[[3-(2-hydroxypiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-iodobenzamide
CID 143651514
3-pyrrolidin-3-yl-5-(trifluoromethyl)quinazolin-4-one
CID 117263512

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one (CID 130358797) is 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one is Cc1nc2cccc(C(F)(F)F)c2c(=O)n1C1CCC(=O)NC1O.
What is the InChIKey of 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one?
The InChIKey is GBNYWNYBGRBLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-7-19-9-4-2-3-8(15(16,17)18)12(9)14(24)21(7)10-5-6-11(22)20-13(10)23/h2-4,10,13,23H,5-6H2,1H3,(H,20,22).
What are the key properties of 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one?
3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one has a molecular weight of 341.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 130358797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).