2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide

C25H36N4O4S — CID 43990934

IUPAC2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCCN(CC)CCCn1c2c(c(SCC(=O)Nc3cc(OC)ccc3OC)nc1=O)CCCC2
InChIInChI=1S/C25H36N4O4S/c1-5-28(6-2)14-9-15-29-21-11-8-7-10-19(21)24(27-25(29)31)34-17-23(30)26-20-16-18(32-3)12-13-22(20)33-4/h12-13,16H,5-11,14-15,17H2,1-4H3,(H,26,30)
InChIKeyXDTUBCTVRZOKHO-UHFFFAOYSA-N
MW488.65 g/mol
LogP3.60
Rot. Bonds12

About 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide

2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 43990934) has the molecular formula C25H36N4O4S and a molecular weight of 488.65 g/mol. Its IUPAC name is 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID43990934
Molecular FormulaC25H36N4O4S
Molecular Weight488.65 g/mol
Exact Mass488.25
IUPAC Name2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCCN(CC)CCCn1c2c(c(SCC(=O)Nc3cc(OC)ccc3OC)nc1=O)CCCC2
InChIInChI=1S/C25H36N4O4S/c1-5-28(6-2)14-9-15-29-21-11-8-7-10-19(21)24(27-25(29)31)34-17-23(30)26-20-16-18(32-3)12-13-22(20)33-4/h12-13,16H,5-11,14-15,17H2,1-4H3,(H,26,30)
InChIKeyXDTUBCTVRZOKHO-UHFFFAOYSA-N
XLogP3.60
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-[2-(diethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 42524645
N-(2,5-dimethoxyphenyl)-2-[[1-(2-hydroxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 41245727
N-(2,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 18578521
2-[[1-[3-(dimethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 18578820
N-(2,4-dimethoxyphenyl)-2-[[1-(3-hydroxypropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 41246005
N-(2,4-dimethoxyphenyl)-2-[[1-[2-(dimethylamino)ethyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 18578565
2-[[1-[3-(dimethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 18578819
2-[[1-[3-(diethylamino)propyl]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16800028
N-(4-butylphenyl)-2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 43990972
N-(2,4-dimethoxyphenyl)-2-[[1-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 18578684
N-(2,4-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 18578520
2-[[1-[3-(dimethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 7588242

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide (CID 43990934) is 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide is CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cc(OC)ccc3OC)nc1=O)CCCC2.
What is the InChIKey of 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is XDTUBCTVRZOKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4S/c1-5-28(6-2)14-9-15-29-21-11-8-7-10-19(21)24(27-25(29)31)34-17-23(30)26-20-16-18(32-3)12-13-22(20)33-4/h12-13,16H,5-11,14-15,17H2,1-4H3,(H,26,30).
What are the key properties of 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 488.65 g/mol, XLogP of 3.60, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(diethylamino)propyl]-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 43990934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).