5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one

C17H15ClN2O — CID 13064615

IUPAC5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(-c2ccccc2)nc(=O)c2c(Cl)cccc21
InChIInChI=1S/C17H15ClN2O/c1-11(2)20-14-10-6-9-13(18)15(14)17(21)19-16(20)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyLFMCFPWOPYHIOJ-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.30
Rot. Bonds2

About 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one

5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one (PubChem CID 13064615) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one
PubChem CID13064615
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(-c2ccccc2)nc(=O)c2c(Cl)cccc21
InChIInChI=1S/C17H15ClN2O/c1-11(2)20-14-10-6-9-13(18)15(14)17(21)19-16(20)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyLFMCFPWOPYHIOJ-UHFFFAOYSA-N
XLogP4.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one?
The IUPAC name of 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one (CID 13064615) is 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one?
The canonical SMILES for 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one is CC(C)n1c(-c2ccccc2)nc(=O)c2c(Cl)cccc21.
What is the InChIKey of 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one?
The InChIKey is LFMCFPWOPYHIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(2)20-14-10-6-9-13(18)15(14)17(21)19-16(20)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one?
5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one has a molecular weight of 298.77 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 13064615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).