N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide

C21H18N4OS — CID 24632870

IUPACN-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2nc(-c3ccsc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4OS/c1-14(26)23-17-8-6-15(7-9-17)12-22-21-18-4-2-3-5-19(18)24-20(25-21)16-10-11-27-13-16/h2-11,13H,12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyYJUGGLLQJXEQPY-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.93
Rot. Bonds5

About N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide

N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide (PubChem CID 24632870) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
PubChem CID24632870
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2nc(-c3ccsc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4OS/c1-14(26)23-17-8-6-15(7-9-17)12-22-21-18-4-2-3-5-19(18)24-20(25-21)16-10-11-27-13-16/h2-11,13H,12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyYJUGGLLQJXEQPY-UHFFFAOYSA-N
XLogP4.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide with MolForge

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Related Compounds

5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453486
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507418
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846
N-pyridin-2-yl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 133367580
N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 49430506
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
2-(furan-2-yl)-1-[(2-thiophen-3-ylquinazolin-4-yl)amino]propan-2-ol
CID 133323931
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylbenzamide;2,2,2-trifluoroacetic acid
CID 161246271

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide (CID 24632870) is N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2nc(-c3ccsc3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide?
The InChIKey is YJUGGLLQJXEQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14(26)23-17-8-6-15(7-9-17)12-22-21-18-4-2-3-5-19(18)24-20(25-21)16-10-11-27-13-16/h2-11,13H,12H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide?
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 24632870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).