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

C23H22N4O2S — CID 60507160

IUPACN,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCN(C)C(=O)COc1cccc(CNc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C23H22N4O2S/c1-27(2)21(28)15-29-17-8-5-7-16(13-17)14-24-22-18-9-3-4-10-19(18)25-23(26-22)20-11-6-12-30-20/h3-13H,14-15H2,1-2H3,(H,24,25,26)
InChIKeyGNJUWNXAURDNOC-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.44
Rot. Bonds7

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

N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide (PubChem CID 60507160) 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-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
PubChem CID60507160
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCN(C)C(=O)COc1cccc(CNc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C23H22N4O2S/c1-27(2)21(28)15-29-17-8-5-7-16(13-17)14-24-22-18-9-3-4-10-19(18)25-23(26-22)20-11-6-12-30-20/h3-13H,14-15H2,1-2H3,(H,24,25,26)
InChIKeyGNJUWNXAURDNOC-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-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507418
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
piperidin-1-yl-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenyl]methanone
CID 26448373
2-[3-[[(6-bromoquinazolin-4-yl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 87021134
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119712259
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
6-[(2-thiophen-2-ylquinazolin-4-yl)amino]hexanoic acid
CID 91964437

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide (CID 60507160) is N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide is CN(C)C(=O)COc1cccc(CNc2nc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is GNJUWNXAURDNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-27(2)21(28)15-29-17-8-5-7-16(13-17)14-24-22-18-9-3-4-10-19(18)25-23(26-22)20-11-6-12-30-20/h3-13H,14-15H2,1-2H3,(H,24,25,26).
What are the key properties of N,N-dimethyl-2-[3-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide?
N,N-dimethyl-2-[3-[[(2-thiophen-2-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-2-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 60507160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).