2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one

C23H22N2O4 — CID 42937122

IUPAC2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N(C)C2c2cccc(OC)c2O)cc1
InChIInChI=1S/C23H22N2O4/c1-24-19-9-5-4-7-17(19)23(27)25(15-11-13-16(28-2)14-12-15)22(24)18-8-6-10-20(29-3)21(18)26/h4-14,22,26H,1-3H3
InChIKeyCCZNHWLMGXKTAT-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.20
Rot. Bonds4

About 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one

2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one (PubChem CID 42937122) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
PubChem CID42937122
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N(C)C2c2cccc(OC)c2O)cc1
InChIInChI=1S/C23H22N2O4/c1-24-19-9-5-4-7-17(19)23(27)25(15-11-13-16(28-2)14-12-15)22(24)18-8-6-10-20(29-3)21(18)26/h4-14,22,26H,1-3H3
InChIKeyCCZNHWLMGXKTAT-UHFFFAOYSA-N
XLogP4.20
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
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-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one?
The IUPAC name of 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one (CID 42937122) is 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3N(C)C2c2cccc(OC)c2O)cc1.
What is the InChIKey of 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one?
The InChIKey is CCZNHWLMGXKTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-24-19-9-5-4-7-17(19)23(27)25(15-11-13-16(28-2)14-12-15)22(24)18-8-6-10-20(29-3)21(18)26/h4-14,22,26H,1-3H3.
What are the key properties of 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one?
2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one has a molecular weight of 390.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one is sourced from PubChem (CID 42937122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).