2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one

C24H24N2O2 — CID 3117510

IUPAC2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H24N2O2/c1-16(2)17-8-12-19(13-9-17)26-23(18-10-14-20(28-3)15-11-18)25-22-7-5-4-6-21(22)24(26)27/h4-16,23,25H,1-3H3
InChIKeyWELADDDGUMBQMG-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.59
Rot. Bonds4

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

2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3117510) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3117510
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H24N2O2/c1-16(2)17-8-12-19(13-9-17)26-23(18-10-14-20(28-3)15-11-18)25-22-7-5-4-6-21(22)24(26)27/h4-16,23,25H,1-3H3
InChIKeyWELADDDGUMBQMG-UHFFFAOYSA-N
XLogP5.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.59
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-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one (CID 3117510) is 2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WELADDDGUMBQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16(2)17-8-12-19(13-9-17)26-23(18-10-14-20(28-3)15-11-18)25-22-7-5-4-6-21(22)24(26)27/h4-16,23,25H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one?
2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 372.47 g/mol, XLogP of 5.59, 4 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-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3117510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).