8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one

C15H18BrN3O — CID 169155300

IUPAC8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
SMILESCc1cc(Br)c2nc(N3CCCCC3)n(C)c(=O)c2c1
InChIInChI=1S/C15H18BrN3O/c1-10-8-11-13(12(16)9-10)17-15(18(2)14(11)20)19-6-4-3-5-7-19/h8-9H,3-7H2,1-2H3
InChIKeyUFGVHPAEHCVAEG-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.99
Rot. Bonds1

About 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one

8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one (PubChem CID 169155300) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
PubChem CID169155300
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
SMILESCc1cc(Br)c2nc(N3CCCCC3)n(C)c(=O)c2c1
InChIInChI=1S/C15H18BrN3O/c1-10-8-11-13(12(16)9-10)17-15(18(2)14(11)20)19-6-4-3-5-7-19/h8-9H,3-7H2,1-2H3
InChIKeyUFGVHPAEHCVAEG-UHFFFAOYSA-N
XLogP2.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one?
The IUPAC name of 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one (CID 169155300) is 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one.
What is the SMILES notation for 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one?
The canonical SMILES for 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one is Cc1cc(Br)c2nc(N3CCCCC3)n(C)c(=O)c2c1.
What is the InChIKey of 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one?
The InChIKey is UFGVHPAEHCVAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-8-11-13(12(16)9-10)17-15(18(2)14(11)20)19-6-4-3-5-7-19/h8-9H,3-7H2,1-2H3.
What are the key properties of 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one?
8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one has a molecular weight of 336.23 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one is sourced from PubChem (CID 169155300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).