N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide

C19H19N3O3S — CID 2607892

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2ncnc3ccccc23)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-16-8-7-13(9-17(16)25-2)10-20-18(23)11-26-19-14-5-3-4-6-15(14)21-12-22-19/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyFQWUYXRYNIJJQL-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.06
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2607892) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2607892
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2ncnc3ccccc23)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-16-8-7-13(9-17(16)25-2)10-20-18(23)11-26-19-14-5-3-4-6-15(14)21-12-22-19/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyFQWUYXRYNIJJQL-UHFFFAOYSA-N
XLogP3.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
4-(3-Methylsulfanylanilino)-6,7-Dimethoxyquinazoline
CID 1714
4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide
CID 10386217
6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 1474878
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
CID 3592300
N-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-4-quinazolinamine
CID 1490247
6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 1490243
(6,7-Diethoxy-quinazolin-4-yl)-[3-(4-methyl-thiazol-2-yl)-phenyl]-amine
CID 10194393
4-(3,4-Methylenedioxybenzyl)amino-6-methylsulfinylquinazoline
CID 10405045
Benzo[1,3]dioxol-5-ylmethyl-(6-methylsulfanyl-quinazolin-4-yl)-amine
CID 10471556
4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-methylsulfanyl-phenyl)-amide
CID 11133954

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide (CID 2607892) is N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide is COc1ccc(CNC(=O)CSc2ncnc3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is FQWUYXRYNIJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-8-7-13(9-17(16)25-2)10-20-18(23)11-26-19-14-5-3-4-6-15(14)21-12-22-19/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2607892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).