3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one

C17H19N3O3S — CID 8979691

IUPAC3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CC1)N1CCOCC1
InChIInChI=1S/C17H19N3O3S/c21-15(19-7-9-23-10-8-19)11-24-17-18-14-4-2-1-3-13(14)16(22)20(17)12-5-6-12/h1-4,12H,5-11H2
InChIKeyZCFLSYJHOAGWPQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.68
Rot. Bonds4

About 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one

3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (PubChem CID 8979691) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
PubChem CID8979691
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1C1CC1)N1CCOCC1
InChIInChI=1S/C17H19N3O3S/c21-15(19-7-9-23-10-8-19)11-24-17-18-14-4-2-1-3-13(14)16(22)20(17)12-5-6-12/h1-4,12H,5-11H2
InChIKeyZCFLSYJHOAGWPQ-UHFFFAOYSA-N
XLogP1.68
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (CID 8979691) is 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1C1CC1)N1CCOCC1.
What is the InChIKey of 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The InChIKey is ZCFLSYJHOAGWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-15(19-7-9-23-10-8-19)11-24-17-18-14-4-2-1-3-13(14)16(22)20(17)12-5-6-12/h1-4,12H,5-11H2.
What are the key properties of 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one has a molecular weight of 345.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 8979691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).