2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide

C20H28N4O4S — CID 663088

IUPAC2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O
InChIInChI=1S/C20H28N4O4S/c1-5-22(6-2)17(25)13-28-24-19(27)15-11-9-10-12-16(15)21-20(24)29-14-18(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKeyXOWPGLABLGZTBB-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.65
Rot. Bonds10

About 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide

2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide (PubChem CID 663088) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide
PubChem CID663088
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O
InChIInChI=1S/C20H28N4O4S/c1-5-22(6-2)17(25)13-28-24-19(27)15-11-9-10-12-16(15)21-20(24)29-14-18(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKeyXOWPGLABLGZTBB-UHFFFAOYSA-N
XLogP1.65
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide?
The IUPAC name of 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide (CID 663088) is 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide?
The canonical SMILES for 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide is CCN(CC)C(=O)COn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide?
The InChIKey is XOWPGLABLGZTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-5-22(6-2)17(25)13-28-24-19(27)15-11-9-10-12-16(15)21-20(24)29-14-18(26)23(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide?
2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide has a molecular weight of 420.54 g/mol, XLogP of 1.65, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxy-N,N-diethylacetamide is sourced from PubChem (CID 663088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).