1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one

C15H23N3O2S — CID 44961194

IUPAC1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one
SMILESO=c1[nH]c(=S)c2c(n1CCCN1CCOCC1)CCCC2
InChIInChI=1S/C15H23N3O2S/c19-15-16-14(21)12-4-1-2-5-13(12)18(15)7-3-6-17-8-10-20-11-9-17/h1-11H2,(H,16,19,21)
InChIKeyWUVUZGMEFWLCNY-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.51
Rot. Bonds4

About 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one

1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one (PubChem CID 44961194) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one
PubChem CID44961194
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one
SMILESO=c1[nH]c(=S)c2c(n1CCCN1CCOCC1)CCCC2
InChIInChI=1S/C15H23N3O2S/c19-15-16-14(21)12-4-1-2-5-13(12)18(15)7-3-6-17-8-10-20-11-9-17/h1-11H2,(H,16,19,21)
InChIKeyWUVUZGMEFWLCNY-UHFFFAOYSA-N
XLogP1.51
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one (CID 44961194) is 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one is O=c1[nH]c(=S)c2c(n1CCCN1CCOCC1)CCCC2.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one?
The InChIKey is WUVUZGMEFWLCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-15-16-14(21)12-4-1-2-5-13(12)18(15)7-3-6-17-8-10-20-11-9-17/h1-11H2,(H,16,19,21).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one?
1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one has a molecular weight of 309.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one is sourced from PubChem (CID 44961194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).