8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one

C12H12BrClN2O — CID 170753339

IUPAC8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one
SMILESCc1cc(Br)c2nc(Cl)n(C(C)C)c(=O)c2c1
InChIInChI=1S/C12H12BrClN2O/c1-6(2)16-11(17)8-4-7(3)5-9(13)10(8)15-12(16)14/h4-6H,1-3H3
InChIKeyFXRBROYTXMPFTE-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.70
Rot. Bonds1

About 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one

8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one (PubChem CID 170753339) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one
PubChem CID170753339
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one
SMILESCc1cc(Br)c2nc(Cl)n(C(C)C)c(=O)c2c1
InChIInChI=1S/C12H12BrClN2O/c1-6(2)16-11(17)8-4-7(3)5-9(13)10(8)15-12(16)14/h4-6H,1-3H3
InChIKeyFXRBROYTXMPFTE-UHFFFAOYSA-N
XLogP3.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one (CID 170753339) is 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one is Cc1cc(Br)c2nc(Cl)n(C(C)C)c(=O)c2c1.
What is the InChIKey of 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one?
The InChIKey is FXRBROYTXMPFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-6(2)16-11(17)8-4-7(3)5-9(13)10(8)15-12(16)14/h4-6H,1-3H3.
What are the key properties of 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one?
8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one has a molecular weight of 315.60 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 170753339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).