6-bromo-3-propylquinazolin-4-one

C11H11BrN2O — CID 42893846

IUPAC6-bromo-3-propylquinazolin-4-one
SMILESCCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H11BrN2O/c1-2-5-14-7-13-10-4-3-8(12)6-9(10)11(14)15/h3-4,6-7H,2,5H2,1H3
InChIKeyZHKNYIWOFYFUSJ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.57
Rot. Bonds2

About 6-bromo-3-propylquinazolin-4-one

6-bromo-3-propylquinazolin-4-one (PubChem CID 42893846) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 6-bromo-3-propylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-propylquinazolin-4-one
PubChem CID42893846
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name6-bromo-3-propylquinazolin-4-one
SMILESCCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H11BrN2O/c1-2-5-14-7-13-10-4-3-8(12)6-9(10)11(14)15/h3-4,6-7H,2,5H2,1H3
InChIKeyZHKNYIWOFYFUSJ-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-propylquinazolin-4-one?
The IUPAC name of 6-bromo-3-propylquinazolin-4-one (CID 42893846) is 6-bromo-3-propylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-propylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-propylquinazolin-4-one is CCCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-propylquinazolin-4-one?
The InChIKey is ZHKNYIWOFYFUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-5-14-7-13-10-4-3-8(12)6-9(10)11(14)15/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 6-bromo-3-propylquinazolin-4-one?
6-bromo-3-propylquinazolin-4-one has a molecular weight of 267.13 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-propylquinazolin-4-one is sourced from PubChem (CID 42893846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).