2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide

C22H30N4O2S — CID 7588013

IUPAC2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c(C)c1
InChIInChI=1S/C22H30N4O2S/c1-15-9-10-18(16(2)13-15)23-20(27)14-29-21-17-7-5-6-8-19(17)26(22(28)24-21)12-11-25(3)4/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,23,27)
InChIKeyXAOBLNCBWPSYRW-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.03
Rot. Bonds7

About 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide

2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 7588013) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID7588013
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c(C)c1
InChIInChI=1S/C22H30N4O2S/c1-15-9-10-18(16(2)13-15)23-20(27)14-29-21-17-7-5-6-8-19(17)26(22(28)24-21)12-11-25(3)4/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,23,27)
InChIKeyXAOBLNCBWPSYRW-UHFFFAOYSA-N
XLogP3.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-Oxo-2-(4-phenyl-piperazin-1-yl)-ethanesulfinyl]-N-(2,4,6-trimethyl-phenyl)-acetamide
CID 655763
N-(2,4-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256714
N-(3,5-dimethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256715
N-(4-ethylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256717
N-(4-butylphenyl)-2-((1-(2-(dimethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 7385558
2-((1-(2-(dimethylamino)ethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)-N-(4-ethylphenyl)acetamide
CID 7588009
2-((1-(2-(diethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 16032784
2-((1-(2-(diethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(naphthalen-1-yl)acetamide
CID 18578596
N-(4-butylphenyl)-2-((1-(2-(diethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578598
2-((1-(2-(diethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
CID 18578600
1-(3-(diethylamino)propyl)-4-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
CID 18578654
N-(3,5-dimethylphenyl)-2-((1-(2-morpholinoethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578723

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide (CID 7588013) is 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c(C)c1.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is XAOBLNCBWPSYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-15-9-10-18(16(2)13-15)23-20(27)14-29-21-17-7-5-6-8-19(17)26(22(28)24-21)12-11-25(3)4/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,23,27).
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 414.58 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7588013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).