2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H18N4O3S — CID 5007961

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H18N4O3S/c29-22(25-15-9-10-20-21(13-15)31-12-11-30-20)14-32-24-27-17-6-2-1-5-16(17)23-26-18-7-3-4-8-19(18)28(23)24/h1-10,13H,11-12,14H2,(H,25,29)
InChIKeyXOHJPTKQUOIRRL-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.54
Rot. Bonds4

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 5007961) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID5007961
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H18N4O3S/c29-22(25-15-9-10-20-21(13-15)31-12-11-30-20)14-32-24-27-17-6-2-1-5-16(17)23-26-18-7-3-4-8-19(18)28(23)24/h1-10,13H,11-12,14H2,(H,25,29)
InChIKeyXOHJPTKQUOIRRL-UHFFFAOYSA-N
XLogP4.54
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide
CID 2967063
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-ethylphenyl)acetamide
CID 5134658
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 1186716
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 4875733
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082629
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2632918
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
CID 4790109
2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 16532631
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1278676
N-(1,3-benzodioxol-5-yl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2575529
N-(1,3-benzodioxol-5-yl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2309170

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 5007961) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is XOHJPTKQUOIRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c29-22(25-15-9-10-20-21(13-15)31-12-11-30-20)14-32-24-27-17-6-2-1-5-16(17)23-26-18-7-3-4-8-19(18)28(23)24/h1-10,13H,11-12,14H2,(H,25,29).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 442.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 5007961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).