N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

C25H24N4O2 — CID 46346777

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCN(C)c1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H24N4O2/c1-28(2)20-14-12-18(13-15-20)16-26-23(30)17-29-22-11-7-6-10-21(22)24(27-25(29)31)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,30)
InChIKeyAPLVBHPUHKJJMB-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.45
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (PubChem CID 46346777) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
PubChem CID46346777
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCN(C)c1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H24N4O2/c1-28(2)20-14-12-18(13-15-20)16-26-23(30)17-29-22-11-7-6-10-21(22)24(27-25(29)31)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,30)
InChIKeyAPLVBHPUHKJJMB-UHFFFAOYSA-N
XLogP3.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (CID 46346777) is N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is CN(C)c1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The InChIKey is APLVBHPUHKJJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-28(2)20-14-12-18(13-15-20)16-26-23(30)17-29-22-11-7-6-10-21(22)24(27-25(29)31)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,30).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is sourced from PubChem (CID 46346777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).