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

C24H28N4O2S — CID 18578773

IUPAC2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCCC2
InChIInChI=1S/C24H28N4O2S/c1-27(2)14-15-28-21-13-6-5-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-7-9-17-8-3-4-10-18(17)20/h3-4,7-10,12H,5-6,11,13-16H2,1-2H3,(H,25,29)
InChIKeyJATDPSMEQAVFJO-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.57
Rot. Bonds7

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

2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 18578773) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID18578773
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCCC2
InChIInChI=1S/C24H28N4O2S/c1-27(2)14-15-28-21-13-6-5-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-7-9-17-8-3-4-10-18(17)20/h3-4,7-10,12H,5-6,11,13-16H2,1-2H3,(H,25,29)
InChIKeyJATDPSMEQAVFJO-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.57
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-naphthalen-1-ylacetamide 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

N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 135543861
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1307031
N-naphthalen-1-yl-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256609
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7259110
2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7259418
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
N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 4193238
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 1081540

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-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide (CID 18578773) is 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide is CN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCCC2.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is JATDPSMEQAVFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-27(2)14-15-28-21-13-6-5-11-19(21)23(26-24(28)30)31-16-22(29)25-20-12-7-9-17-8-3-4-10-18(17)20/h3-4,7-10,12H,5-6,11,13-16H2,1-2H3,(H,25,29).
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
2-[[1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 436.58 g/mol, XLogP of 3.57, 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-naphthalen-1-ylacetamide is sourced from PubChem (CID 18578773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).