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

C22H20N2O2 — CID 3112057

IUPAC2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-15-7-11-17(12-8-15)24-21(16-9-13-18(26-2)14-10-16)23-20-6-4-3-5-19(20)22(24)25/h3-14,21,23H,1-2H3
InChIKeyOSWMWLNZWFUBAR-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.77
Rot. Bonds3

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

2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3112057) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3112057
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-15-7-11-17(12-8-15)24-21(16-9-13-18(26-2)14-10-16)23-20-6-4-3-5-19(20)22(24)25/h3-14,21,23H,1-2H3
InChIKeyOSWMWLNZWFUBAR-UHFFFAOYSA-N
XLogP4.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 3112057) is 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is OSWMWLNZWFUBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-7-11-17(12-8-15)24-21(16-9-13-18(26-2)14-10-16)23-20-6-4-3-5-19(20)22(24)25/h3-14,21,23H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 344.41 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3112057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).