8-bromo-3-piperidin-3-ylquinazolin-4-one

C13H14BrN3O — CID 117264605

IUPAC8-bromo-3-piperidin-3-ylquinazolin-4-one
SMILESO=c1c2cccc(Br)c2ncn1C1CCCNC1
InChIInChI=1S/C13H14BrN3O/c14-11-5-1-4-10-12(11)16-8-17(13(10)18)9-3-2-6-15-7-9/h1,4-5,8-9,15H,2-3,6-7H2
InChIKeyRFGULZFMIDNJPR-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.08
Rot. Bonds1

About 8-bromo-3-piperidin-3-ylquinazolin-4-one

8-bromo-3-piperidin-3-ylquinazolin-4-one (PubChem CID 117264605) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 8-bromo-3-piperidin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3-piperidin-3-ylquinazolin-4-one
PubChem CID117264605
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name8-bromo-3-piperidin-3-ylquinazolin-4-one
SMILESO=c1c2cccc(Br)c2ncn1C1CCCNC1
InChIInChI=1S/C13H14BrN3O/c14-11-5-1-4-10-12(11)16-8-17(13(10)18)9-3-2-6-15-7-9/h1,4-5,8-9,15H,2-3,6-7H2
InChIKeyRFGULZFMIDNJPR-UHFFFAOYSA-N
XLogP2.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-piperidin-3-ylquinazolin-4-one?
The IUPAC name of 8-bromo-3-piperidin-3-ylquinazolin-4-one (CID 117264605) is 8-bromo-3-piperidin-3-ylquinazolin-4-one.
What is the SMILES notation for 8-bromo-3-piperidin-3-ylquinazolin-4-one?
The canonical SMILES for 8-bromo-3-piperidin-3-ylquinazolin-4-one is O=c1c2cccc(Br)c2ncn1C1CCCNC1.
What is the InChIKey of 8-bromo-3-piperidin-3-ylquinazolin-4-one?
The InChIKey is RFGULZFMIDNJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-11-5-1-4-10-12(11)16-8-17(13(10)18)9-3-2-6-15-7-9/h1,4-5,8-9,15H,2-3,6-7H2.
What are the key properties of 8-bromo-3-piperidin-3-ylquinazolin-4-one?
8-bromo-3-piperidin-3-ylquinazolin-4-one has a molecular weight of 308.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-piperidin-3-ylquinazolin-4-one is sourced from PubChem (CID 117264605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).