2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C14H19N3O3S — CID 135657716

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=C(CSc1nc2c(c(=O)[nH]1)CCCC2)N1CCOCC1
InChIInChI=1S/C14H19N3O3S/c18-12(17-5-7-20-8-6-17)9-21-14-15-11-4-2-1-3-10(11)13(19)16-14/h1-9H2,(H,15,16,19)
InChIKeyQVRMNGJAPFQFQV-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.60
Rot. Bonds3

About 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135657716) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135657716
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=C(CSc1nc2c(c(=O)[nH]1)CCCC2)N1CCOCC1
InChIInChI=1S/C14H19N3O3S/c18-12(17-5-7-20-8-6-17)9-21-14-15-11-4-2-1-3-10(11)13(19)16-14/h1-9H2,(H,15,16,19)
InChIKeyQVRMNGJAPFQFQV-UHFFFAOYSA-N
XLogP0.60
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135657716) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is QVRMNGJAPFQFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-12(17-5-7-20-8-6-17)9-21-14-15-11-4-2-1-3-10(11)13(19)16-14/h1-9H2,(H,15,16,19).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 309.39 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135657716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).