6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one

C15H11Br2N3O3 — CID 171642169

IUPAC6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one
SMILESCOc1nc(-c2nc3c(Br)cc(Br)cc3c(=O)n2C)ccc1O
InChIInChI=1S/C15H11Br2N3O3/c1-20-13(10-3-4-11(21)14(18-10)23-2)19-12-8(15(20)22)5-7(16)6-9(12)17/h3-6,21H,1-2H3
InChIKeyLVSBGRCFXOUEFV-UHFFFAOYSA-N
MW441.08 g/mol
LogP3.23
Rot. Bonds2

About 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one

6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one (PubChem CID 171642169) has the molecular formula C15H11Br2N3O3 and a molecular weight of 441.08 g/mol. Its IUPAC name is 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one
PubChem CID171642169
Molecular FormulaC15H11Br2N3O3
Molecular Weight441.08 g/mol
Exact Mass438.92
IUPAC Name6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one
SMILESCOc1nc(-c2nc3c(Br)cc(Br)cc3c(=O)n2C)ccc1O
InChIInChI=1S/C15H11Br2N3O3/c1-20-13(10-3-4-11(21)14(18-10)23-2)19-12-8(15(20)22)5-7(16)6-9(12)17/h3-6,21H,1-2H3
InChIKeyLVSBGRCFXOUEFV-UHFFFAOYSA-N
XLogP3.23
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.08
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one?
The IUPAC name of 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one (CID 171642169) is 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one?
The canonical SMILES for 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one is COc1nc(-c2nc3c(Br)cc(Br)cc3c(=O)n2C)ccc1O.
What is the InChIKey of 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one?
The InChIKey is LVSBGRCFXOUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O3/c1-20-13(10-3-4-11(21)14(18-10)23-2)19-12-8(15(20)22)5-7(16)6-9(12)17/h3-6,21H,1-2H3.
What are the key properties of 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one?
6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one has a molecular weight of 441.08 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-(5-hydroxy-6-methoxy-2-pyridinyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 171642169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).