N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide

C23H22N4O2S — CID 60507418

IUPACN,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCN(C)C(=O)COc1cccc(CNc2nc(-c3ccsc3)nc3ccccc23)c1
InChIInChI=1S/C23H22N4O2S/c1-27(2)21(28)14-29-18-7-5-6-16(12-18)13-24-23-19-8-3-4-9-20(19)25-22(26-23)17-10-11-30-15-17/h3-12,15H,13-14H2,1-2H3,(H,24,25,26)
InChIKeyWSXHHKQAAGSHIE-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.44
Rot. Bonds7

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

N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide (PubChem CID 60507418) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
PubChem CID60507418
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCN(C)C(=O)COc1cccc(CNc2nc(-c3ccsc3)nc3ccccc23)c1
InChIInChI=1S/C23H22N4O2S/c1-27(2)21(28)14-29-18-7-5-6-16(12-18)13-24-23-19-8-3-4-9-20(19)25-22(26-23)17-10-11-30-15-17/h3-12,15H,13-14H2,1-2H3,(H,24,25,26)
InChIKeyWSXHHKQAAGSHIE-UHFFFAOYSA-N
XLogP4.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507160
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
CID 24632870
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-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
2-[3-[[(6-bromoquinazolin-4-yl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 87021134
N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 49430506
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402
N,N-dimethyl-2-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenoxy]acetamide
CID 133338780
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
CID 119283198
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide (CID 60507418) is N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide is CN(C)C(=O)COc1cccc(CNc2nc(-c3ccsc3)nc3ccccc23)c1.
What is the InChIKey of N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is WSXHHKQAAGSHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-27(2)21(28)14-29-18-7-5-6-16(12-18)13-24-23-19-8-3-4-9-20(19)25-22(26-23)17-10-11-30-15-17/h3-12,15H,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide?
N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 60507418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).