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

C22H20N2O4 — CID 3846487

IUPAC2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)cc2O)cc1
InChIInChI=1S/C22H20N2O4/c1-27-15-9-7-14(8-10-15)24-21(18-12-11-16(28-2)13-20(18)25)23-19-6-4-3-5-17(19)22(24)26/h3-13,21,23,25H,1-2H3
InChIKeyUPXMYVPGRWFYCY-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.18
Rot. Bonds4

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

2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3846487) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3846487
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)cc2O)cc1
InChIInChI=1S/C22H20N2O4/c1-27-15-9-7-14(8-10-15)24-21(18-12-11-16(28-2)13-20(18)25)23-19-6-4-3-5-17(19)22(24)26/h3-13,21,23,25H,1-2H3
InChIKeyUPXMYVPGRWFYCY-UHFFFAOYSA-N
XLogP4.18
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 3846487) is 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)cc2O)cc1.
What is the InChIKey of 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is UPXMYVPGRWFYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-15-9-7-14(8-10-15)24-21(18-12-11-16(28-2)13-20(18)25)23-19-6-4-3-5-17(19)22(24)26/h3-13,21,23,25H,1-2H3.
What are the key properties of 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 376.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3846487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).