N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide

C21H18N4OS — CID 2576377

IUPACN,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4OS/c1-25(2)21(26)14-9-11-15(12-10-14)22-19-16-6-3-4-7-17(16)23-20(24-19)18-8-5-13-27-18/h3-13H,1-2H3,(H,22,23,24)
InChIKeyLLJJRVRFNFFTIC-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.80
Rot. Bonds4

About N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide

N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide (PubChem CID 2576377) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide
PubChem CID2576377
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4OS/c1-25(2)21(26)14-9-11-15(12-10-14)22-19-16-6-3-4-7-17(16)23-20(24-19)18-8-5-13-27-18/h3-13H,1-2H3,(H,22,23,24)
InChIKeyLLJJRVRFNFFTIC-UHFFFAOYSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide
CID 5186884
N-(4,6-dimethylpyridin-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1220150
4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide
CID 3234748
4-(6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamino)-benzamide
CID 18382823
N-[2-Amino-5-(2-thienyl)phenyl]-2-(1-piperazinyl)-6-quinolinecarboxamide
CID 72374405
N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide
CID 90676210
N-[3-[(5-methylindolo[2,3-b]quinolin-11-yl)amino]propyl]thiophene-2-carboxamide
CID 136244898
N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]thiophene-2-carboxamide
CID 141482984
N-(6-methyl-2-pyridinyl)-2-(5-methyl-2-thienyl)-4-quinolinecarboxamide
CID 1009464
N-(4-Acetyl-phenyl)-2-(2-cyclopropyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1435055
1-{4-[2-(Thiophen-2-yl)quinazolin-4-yl]piperazin-1-yl}ethan-1-one
CID 2469159
N-[3-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenyl]acetamide
CID 4786429

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide (CID 2576377) is N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide is CN(C)C(=O)c1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is LLJJRVRFNFFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-25(2)21(26)14-9-11-15(12-10-14)22-19-16-6-3-4-7-17(16)23-20(24-19)18-8-5-13-27-18/h3-13H,1-2H3,(H,22,23,24).
What are the key properties of N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide?
N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 374.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 2576377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).