[2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate

C15H18N4O3S2 — CID 2015259

IUPAC[2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate
SMILESO=C(CSC(=S)N1CCOCC1)Nc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C15H18N4O3S2/c20-12-3-1-2-11-10(12)8-16-14(17-11)18-13(21)9-24-15(23)19-4-6-22-7-5-19/h8H,1-7,9H2,(H,16,17,18,21)
InChIKeyLIGPTMMJBOAMPZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.28
Rot. Bonds3

About [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate

[2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate (PubChem CID 2015259) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate.

Molecular Properties

Compound Name[2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate
PubChem CID2015259
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name[2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate
SMILESO=C(CSC(=S)N1CCOCC1)Nc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C15H18N4O3S2/c20-12-3-1-2-11-10(12)8-16-14(17-11)18-13(21)9-24-15(23)19-4-6-22-7-5-19/h8H,1-7,9H2,(H,16,17,18,21)
InChIKeyLIGPTMMJBOAMPZ-UHFFFAOYSA-N
XLogP1.28
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate?
The IUPAC name of [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate (CID 2015259) is [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate.
What is the SMILES notation for [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate?
The canonical SMILES for [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate is O=C(CSC(=S)N1CCOCC1)Nc1ncc2c(n1)CCCC2=O.
What is the InChIKey of [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate?
The InChIKey is LIGPTMMJBOAMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c20-12-3-1-2-11-10(12)8-16-14(17-11)18-13(21)9-24-15(23)19-4-6-22-7-5-19/h8H,1-7,9H2,(H,16,17,18,21).
What are the key properties of [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate?
[2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate has a molecular weight of 366.47 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]ethyl] morpholine-4-carbodithioate is sourced from PubChem (CID 2015259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).