3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

C15H19N3O2S — CID 724507

IUPAC3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILESO=c1c2ccccc2[nH]c(=S)n1CCCN1CCOCC1
InChIInChI=1S/C15H19N3O2S/c19-14-12-4-1-2-5-13(12)16-15(21)18(14)7-3-6-17-8-10-20-11-9-17/h1-2,4-5H,3,6-11H2,(H,16,21)
InChIKeyWGDJVNHECFFQHH-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.78
Rot. Bonds4

About 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 724507) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID724507
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILESO=c1c2ccccc2[nH]c(=S)n1CCCN1CCOCC1
InChIInChI=1S/C15H19N3O2S/c19-14-12-4-1-2-5-13(12)16-15(21)18(14)7-3-6-17-8-10-20-11-9-17/h1-2,4-5H,3,6-11H2,(H,16,21)
InChIKeyWGDJVNHECFFQHH-UHFFFAOYSA-N
XLogP1.78
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 680914
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CID 4344644
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CID 683940
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CID 63216
CID 63216
CID 11788
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CID 657356
CID 657356
CID 14807234
CID 14807234
CID 657947
CID 657947
CID 696887
CID 696887
CID 2306528
CID 2306528
CID 3157451
CID 3157451

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one (CID 724507) is 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one is O=c1c2ccccc2[nH]c(=S)n1CCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is WGDJVNHECFFQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-14-12-4-1-2-5-13(12)16-15(21)18(14)7-3-6-17-8-10-20-11-9-17/h1-2,4-5H,3,6-11H2,(H,16,21).
What are the key properties of 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one?
3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 305.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 724507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).