N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide

C22H20N4OS — CID 3234720

IUPACN,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N4OS/c1-26(2)22(27)16-11-9-15(10-12-16)20-24-19-8-4-3-7-18(19)21(25-20)23-14-17-6-5-13-28-17/h3-13H,14H2,1-2H3,(H,23,24,25)
InChIKeyNVXOWMGJLXKGJL-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.67
Rot. Bonds5

About N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide

N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide (PubChem CID 3234720) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide
PubChem CID3234720
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N4OS/c1-26(2)22(27)16-11-9-15(10-12-16)20-24-19-8-4-3-7-18(19)21(25-20)23-14-17-6-5-13-28-17/h3-13H,14H2,1-2H3,(H,23,24,25)
InChIKeyNVXOWMGJLXKGJL-UHFFFAOYSA-N
XLogP4.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide 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 N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide (CID 3234720) is N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide is CN(C)C(=O)c1ccc(-c2nc(NCc3cccs3)c3ccccc3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide?
The InChIKey is NVXOWMGJLXKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-26(2)22(27)16-11-9-15(10-12-16)20-24-19-8-4-3-7-18(19)21(25-20)23-14-17-6-5-13-28-17/h3-13H,14H2,1-2H3,(H,23,24,25).
What are the key properties of N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide?
N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide has a molecular weight of 388.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzamide is sourced from PubChem (CID 3234720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).