3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one

C23H20N2O — CID 102278976

IUPAC3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(/C=C/c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H20N2O/c26-23-20-13-7-8-14-21(20)24-22(16-15-18-9-3-1-4-10-18)25(23)17-19-11-5-2-6-12-19/h1-16,22,24H,17H2/b16-15+
InChIKeyURQUNPZACYKSIN-FOCLMDBBSA-N
MW340.43 g/mol
LogP4.79
Rot. Bonds4

About 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one

3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 102278976) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one
PubChem CID102278976
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(/C=C/c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H20N2O/c26-23-20-13-7-8-14-21(20)24-22(16-15-18-9-3-1-4-10-18)25(23)17-19-11-5-2-6-12-19/h1-16,22,24H,17H2/b16-15+
InChIKeyURQUNPZACYKSIN-FOCLMDBBSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
CID 58895109
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9006783
(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9006718
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006782
2-[(E)-2-(furan-2-yl)ethenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 47075577
(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006820
2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 47075576
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
3-benzyl-2-(2-chloroquinolin-3-yl)-1,2-dihydroquinazolin-4-one
CID 5134297
3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779556
(2R)-2-[(E)-2-(1-benzyltriazol-4-yl)ethenyl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 25346849
2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47075581

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one (CID 102278976) is 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(/C=C/c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is URQUNPZACYKSIN-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H20N2O/c26-23-20-13-7-8-14-21(20)24-22(16-15-18-9-3-1-4-10-18)25(23)17-19-11-5-2-6-12-19/h1-16,22,24H,17H2/b16-15+.
What are the key properties of 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one?
3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 340.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 102278976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).