3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one

C18H13N3O2S — CID 42898564

IUPAC3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
SMILESO=C1OCCC1Sc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C18H13N3O2S/c22-17-15(9-10-23-17)24-18-20-12-6-2-1-5-11(12)16-19-13-7-3-4-8-14(13)21(16)18/h1-8,15H,9-10H2
InChIKeyDUGLWUHITALGFQ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.44
Rot. Bonds2

About 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one

3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one (PubChem CID 42898564) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one.

Molecular Properties

Compound Name3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
PubChem CID42898564
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
SMILESO=C1OCCC1Sc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C18H13N3O2S/c22-17-15(9-10-23-17)24-18-20-12-6-2-1-5-11(12)16-19-13-7-3-4-8-14(13)21(16)18/h1-8,15H,9-10H2
InChIKeyDUGLWUHITALGFQ-UHFFFAOYSA-N
XLogP3.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one?
The IUPAC name of 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one (CID 42898564) is 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one.
What is the SMILES notation for 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one?
The canonical SMILES for 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one is O=C1OCCC1Sc1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one?
The InChIKey is DUGLWUHITALGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17-15(9-10-23-17)24-18-20-12-6-2-1-5-11(12)16-19-13-7-3-4-8-14(13)21(16)18/h1-8,15H,9-10H2.
What are the key properties of 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one?
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one has a molecular weight of 335.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one is sourced from PubChem (CID 42898564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).