8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one

C15H12BrN3O — CID 169155249

IUPAC8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one
SMILESCc1cc(Br)c2nc(-c3cccnc3)n(C)c(=O)c2c1
InChIInChI=1S/C15H12BrN3O/c1-9-6-11-13(12(16)7-9)18-14(19(2)15(11)20)10-4-3-5-17-8-10/h3-8H,1-2H3
InChIKeyPECMLHQQUJZRRU-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.07
Rot. Bonds1

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

8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one (PubChem CID 169155249) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one
PubChem CID169155249
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one
SMILESCc1cc(Br)c2nc(-c3cccnc3)n(C)c(=O)c2c1
InChIInChI=1S/C15H12BrN3O/c1-9-6-11-13(12(16)7-9)18-14(19(2)15(11)20)10-4-3-5-17-8-10/h3-8H,1-2H3
InChIKeyPECMLHQQUJZRRU-UHFFFAOYSA-N
XLogP3.07
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.07
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-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one (CID 169155249) is 8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one is Cc1cc(Br)c2nc(-c3cccnc3)n(C)c(=O)c2c1.
What is the InChIKey of 8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one?
The InChIKey is PECMLHQQUJZRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-6-11-13(12(16)7-9)18-14(19(2)15(11)20)10-4-3-5-17-8-10/h3-8H,1-2H3.
What are the key properties of 8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one?
8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one has a molecular weight of 330.19 g/mol, XLogP of 3.07, 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-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 169155249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).