2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one

C23H23N3O — CID 23323162

IUPAC2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H23N3O/c1-16-8-12-19(13-9-16)26-22(17-10-14-18(15-11-17)25(2)3)24-21-7-5-4-6-20(21)23(26)27/h4-15,22,24H,1-3H3
InChIKeyGWRNVPOLDFYERB-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.83
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one

2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 23323162) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID23323162
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H23N3O/c1-16-8-12-19(13-9-16)26-22(17-10-14-18(15-11-17)25(2)3)24-21-7-5-4-6-20(21)23(26)27/h4-15,22,24H,1-3H3
InChIKeyGWRNVPOLDFYERB-UHFFFAOYSA-N
XLogP4.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 23323162) is 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3NC2c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is GWRNVPOLDFYERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-8-12-19(13-9-16)26-22(17-10-14-18(15-11-17)25(2)3)24-21-7-5-4-6-20(21)23(26)27/h4-15,22,24H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 357.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 23323162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).