3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one

C23H22N2O2 — CID 54779605

IUPAC3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1cccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-2-27-19-12-8-11-18(15-19)22-24-21-14-7-6-13-20(21)23(26)25(22)16-17-9-4-3-5-10-17/h3-15,22,24H,2,16H2,1H3
InChIKeyOSFLYGLJYCEHGG-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.85
Rot. Bonds5

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

3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779605) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779605
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1cccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-2-27-19-12-8-11-18(15-19)22-24-21-14-7-6-13-20(21)23(26)25(22)16-17-9-4-3-5-10-17/h3-15,22,24H,2,16H2,1H3
InChIKeyOSFLYGLJYCEHGG-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54779605) is 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one is CCOc1cccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is OSFLYGLJYCEHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-27-19-12-8-11-18(15-19)22-24-21-14-7-6-13-20(21)23(26)25(22)16-17-9-4-3-5-10-17/h3-15,22,24H,2,16H2,1H3.
What are the key properties of 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 358.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).