2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C23H22N2O2 — CID 2901716

IUPAC2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-3-16-8-10-17(11-9-16)22-24-21-7-5-4-6-20(21)23(26)25(22)18-12-14-19(27-2)15-13-18/h4-15,22,24H,3H2,1-2H3
InChIKeyMYPWYGHCNXJLNW-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.03
Rot. Bonds4

About 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2901716) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2901716
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-3-16-8-10-17(11-9-16)22-24-21-7-5-4-6-20(21)23(26)25(22)18-12-14-19(27-2)15-13-18/h4-15,22,24H,3H2,1-2H3
InChIKeyMYPWYGHCNXJLNW-UHFFFAOYSA-N
XLogP5.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 2901716) is 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is CCc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is MYPWYGHCNXJLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-16-8-10-17(11-9-16)22-24-21-7-5-4-6-20(21)23(26)25(22)18-12-14-19(27-2)15-13-18/h4-15,22,24H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 358.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).