2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one

C16H15N3O — CID 135460530

IUPAC2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one
SMILESCN(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H15N3O/c1-19(2)12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(20)18-15/h3-10H,1-2H3,(H,17,18,20)
InChIKeyDZHPHOFITPYPMO-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.66
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one

2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one (PubChem CID 135460530) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one
PubChem CID135460530
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one
SMILESCN(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H15N3O/c1-19(2)12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(20)18-15/h3-10H,1-2H3,(H,17,18,20)
InChIKeyDZHPHOFITPYPMO-UHFFFAOYSA-N
XLogP2.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one (CID 135460530) is 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one is CN(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one?
The InChIKey is DZHPHOFITPYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19(2)12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(20)18-15/h3-10H,1-2H3,(H,17,18,20).
What are the key properties of 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one?
2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135460530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).