N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C25H30N4O5S — CID 3311104

IUPACN-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C25H30N4O5S/c1-32-18-8-9-21(22(16-18)33-2)26-23(30)17-35-25-27-20-7-4-3-6-19(20)24(31)29(25)11-5-10-28-12-14-34-15-13-28/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,26,30)
InChIKeyAZDGMWRLSPCEQP-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.87
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 3311104) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID3311104
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C25H30N4O5S/c1-32-18-8-9-21(22(16-18)33-2)26-23(30)17-35-25-27-20-7-4-3-6-19(20)24(31)29(25)11-5-10-28-12-14-34-15-13-28/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,26,30)
InChIKeyAZDGMWRLSPCEQP-UHFFFAOYSA-N
XLogP2.87
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 3311104) is N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is AZDGMWRLSPCEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-32-18-8-9-21(22(16-18)33-2)26-23(30)17-35-25-27-20-7-4-3-6-19(20)24(31)29(25)11-5-10-28-12-14-34-15-13-28/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,26,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 498.61 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3311104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).