1-(2-propan-2-ylphenyl)quinazolin-2-one

C17H16N2O — CID 140956860

IUPAC1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)ncc2ccccc21
InChIInChI=1S/C17H16N2O/c1-12(2)14-8-4-6-10-16(14)19-15-9-5-3-7-13(15)11-18-17(19)20/h3-12H,1-2H3
InChIKeyYDPJTZSWIHZMKD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.51
Rot. Bonds2

About 1-(2-propan-2-ylphenyl)quinazolin-2-one

1-(2-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 140956860) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)quinazolin-2-one
PubChem CID140956860
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)ncc2ccccc21
InChIInChI=1S/C17H16N2O/c1-12(2)14-8-4-6-10-16(14)19-15-9-5-3-7-13(15)11-18-17(19)20/h3-12H,1-2H3
InChIKeyYDPJTZSWIHZMKD-UHFFFAOYSA-N
XLogP3.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 1-(2-propan-2-ylphenyl)quinazolin-2-one (CID 140956860) is 1-(2-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 1-(2-propan-2-ylphenyl)quinazolin-2-one is CC(C)c1ccccc1-n1c(=O)ncc2ccccc21.
What is the InChIKey of 1-(2-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is YDPJTZSWIHZMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(2)14-8-4-6-10-16(14)19-15-9-5-3-7-13(15)11-18-17(19)20/h3-12H,1-2H3.
What are the key properties of 1-(2-propan-2-ylphenyl)quinazolin-2-one?
1-(2-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 140956860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).