6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one

C18H23N3O3 — CID 167278710

IUPAC6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(C(C)(C)C)cc2c(=O)n1C1CCC(=O)NC1O
InChIInChI=1S/C18H23N3O3/c1-10-19-13-6-5-11(18(2,3)4)9-12(13)17(24)21(10)14-7-8-15(22)20-16(14)23/h5-6,9,14,16,23H,7-8H2,1-4H3,(H,20,22)
InChIKeyGFOIBMMIYKZTSK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.77
Rot. Bonds1

About 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one

6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one (PubChem CID 167278710) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
PubChem CID167278710
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
SMILESCc1nc2ccc(C(C)(C)C)cc2c(=O)n1C1CCC(=O)NC1O
InChIInChI=1S/C18H23N3O3/c1-10-19-13-6-5-11(18(2,3)4)9-12(13)17(24)21(10)14-7-8-15(22)20-16(14)23/h5-6,9,14,16,23H,7-8H2,1-4H3,(H,20,22)
InChIKeyGFOIBMMIYKZTSK-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one?
The IUPAC name of 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one (CID 167278710) is 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one.
What is the SMILES notation for 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one?
The canonical SMILES for 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one is Cc1nc2ccc(C(C)(C)C)cc2c(=O)n1C1CCC(=O)NC1O.
What is the InChIKey of 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one?
The InChIKey is GFOIBMMIYKZTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-10-19-13-6-5-11(18(2,3)4)9-12(13)17(24)21(10)14-7-8-15(22)20-16(14)23/h5-6,9,14,16,23H,7-8H2,1-4H3,(H,20,22).
What are the key properties of 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one?
6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one is sourced from PubChem (CID 167278710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).