4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C14H19N3O3S — CID 7185506

IUPAC4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCOCC1
InChIInChI=1S/C14H19N3O3S/c18-12(17-5-7-20-8-6-17)9-21-13-10-3-1-2-4-11(10)15-14(19)16-13/h1-9H2,(H,15,16,19)
InChIKeyKKSNFXOHQWDAJI-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.60
Rot. Bonds3

About 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 7185506) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID7185506
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCOCC1
InChIInChI=1S/C14H19N3O3S/c18-12(17-5-7-20-8-6-17)9-21-13-10-3-1-2-4-11(10)15-14(19)16-13/h1-9H2,(H,15,16,19)
InChIKeyKKSNFXOHQWDAJI-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 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 7185506) is 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is O=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is KKSNFXOHQWDAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-12(17-5-7-20-8-6-17)9-21-13-10-3-1-2-4-11(10)15-14(19)16-13/h1-9H2,(H,15,16,19).
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-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 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 7185506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).