2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one

C15H15BrN2O — CID 169154876

IUPAC2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one
SMILESCc1cc(Br)c2nc(C34CC(C3)C4)n(C)c(=O)c2c1
InChIInChI=1S/C15H15BrN2O/c1-8-3-10-12(11(16)4-8)17-14(18(2)13(10)19)15-5-9(6-15)7-15/h3-4,9H,5-7H2,1-2H3
InChIKeyJTYQVHVALPFREX-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.06
Rot. Bonds1

About 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one

2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one (PubChem CID 169154876) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one
PubChem CID169154876
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one
SMILESCc1cc(Br)c2nc(C34CC(C3)C4)n(C)c(=O)c2c1
InChIInChI=1S/C15H15BrN2O/c1-8-3-10-12(11(16)4-8)17-14(18(2)13(10)19)15-5-9(6-15)7-15/h3-4,9H,5-7H2,1-2H3
InChIKeyJTYQVHVALPFREX-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one with MolForge

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Related Compounds

8-bromo-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169155207
8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
CID 169155300
8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane
CID 169154783
8-bromo-3,6-dimethyl-2-(oxetan-3-yl)quinazolin-4-one
CID 169154517
2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one
CID 170438426
8-bromo-3,6-dimethyl-2-pyridin-4-ylquinazolin-4-one
CID 170694724
8-bromo-3,6-dimethyl-2-(1H-pyrazol-5-yl)quinazolin-4-one
CID 169212501
8-bromo-3,6-dimethyl-2-(1-methylpyrazol-3-yl)quinazolin-4-one
CID 169154961
8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
CID 170450465
8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one
CID 169155249
8-acetyl-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylquinazolin-4-one
CID 176864465
8-bromo-3-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)-6-methylquinazolin-4-one
CID 169099521

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one?
The IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one (CID 169154876) is 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one is Cc1cc(Br)c2nc(C34CC(C3)C4)n(C)c(=O)c2c1.
What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one?
The InChIKey is JTYQVHVALPFREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-8-3-10-12(11(16)4-8)17-14(18(2)13(10)19)15-5-9(6-15)7-15/h3-4,9H,5-7H2,1-2H3.
What are the key properties of 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one?
2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one has a molecular weight of 319.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.1]pentanyl)-8-bromo-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169154876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).