6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one

C14H17N3O2 — CID 141376183

IUPAC6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one
SMILESCc1nc2ccc(O)cc2c(=O)n1C1CCCNC1
InChIInChI=1S/C14H17N3O2/c1-9-16-13-5-4-11(18)7-12(13)14(19)17(9)10-3-2-6-15-8-10/h4-5,7,10,15,18H,2-3,6,8H2,1H3
InChIKeyBFSVVMMYUDVXMJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.34
Rot. Bonds1

About 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one

6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one (PubChem CID 141376183) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one
PubChem CID141376183
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one
SMILESCc1nc2ccc(O)cc2c(=O)n1C1CCCNC1
InChIInChI=1S/C14H17N3O2/c1-9-16-13-5-4-11(18)7-12(13)14(19)17(9)10-3-2-6-15-8-10/h4-5,7,10,15,18H,2-3,6,8H2,1H3
InChIKeyBFSVVMMYUDVXMJ-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one?
The IUPAC name of 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one (CID 141376183) is 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one.
What is the SMILES notation for 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one?
The canonical SMILES for 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one is Cc1nc2ccc(O)cc2c(=O)n1C1CCCNC1.
What is the InChIKey of 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one?
The InChIKey is BFSVVMMYUDVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-16-13-5-4-11(18)7-12(13)14(19)17(9)10-3-2-6-15-8-10/h4-5,7,10,15,18H,2-3,6,8H2,1H3.
What are the key properties of 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one?
6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one is sourced from PubChem (CID 141376183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).