6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one

C17H15BrN2O — CID 13064644

IUPAC6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(-c2ccccc2)nc(=O)c2cc(Br)ccc21
InChIInChI=1S/C17H15BrN2O/c1-11(2)20-15-9-8-13(18)10-14(15)17(21)19-16(20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyVGYQUMSGSMPDSI-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.41
Rot. Bonds2

About 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one

6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one (PubChem CID 13064644) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one
PubChem CID13064644
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(-c2ccccc2)nc(=O)c2cc(Br)ccc21
InChIInChI=1S/C17H15BrN2O/c1-11(2)20-15-9-8-13(18)10-14(15)17(21)19-16(20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyVGYQUMSGSMPDSI-UHFFFAOYSA-N
XLogP4.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one?
The IUPAC name of 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one (CID 13064644) is 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one?
The canonical SMILES for 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one is CC(C)n1c(-c2ccccc2)nc(=O)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one?
The InChIKey is VGYQUMSGSMPDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11(2)20-15-9-8-13(18)10-14(15)17(21)19-16(20)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one?
6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one has a molecular weight of 343.22 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-1-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 13064644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).