3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

C24H24N2O2 — CID 54779556

IUPAC3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H24N2O2/c1-17(2)28-22-15-9-7-13-20(22)23-25-21-14-8-6-12-19(21)24(27)26(23)16-18-10-4-3-5-11-18/h3-15,17,23,25H,16H2,1-2H3
InChIKeyKAMRYZLOJCGXJF-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.24
Rot. Bonds5

About 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779556) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779556
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H24N2O2/c1-17(2)28-22-15-9-7-13-20(22)23-25-21-14-8-6-12-19(21)24(27)26(23)16-18-10-4-3-5-11-18/h3-15,17,23,25H,16H2,1-2H3
InChIKeyKAMRYZLOJCGXJF-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54779556) is 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is CC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is KAMRYZLOJCGXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17(2)28-22-15-9-7-13-20(22)23-25-21-14-8-6-12-19(21)24(27)26(23)16-18-10-4-3-5-11-18/h3-15,17,23,25H,16H2,1-2H3.
What are the key properties of 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 372.47 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).