4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C16H15ClN4O4S — CID 154795711

IUPAC4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(S(=O)(=O)c3ccc(Cl)c4ncccc34)CCO2)o1
InChIInChI=1S/C16H15ClN4O4S/c1-10-19-20-16(25-10)13-9-21(7-8-24-13)26(22,23)14-5-4-12(17)15-11(14)3-2-6-18-15/h2-6,13H,7-9H2,1H3
InChIKeyGLCDHWOXHCFYJR-UHFFFAOYSA-N
MW394.84 g/mol
LogP2.34
Rot. Bonds3

About 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 154795711) has the molecular formula C16H15ClN4O4S and a molecular weight of 394.84 g/mol. Its IUPAC name is 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID154795711
Molecular FormulaC16H15ClN4O4S
Molecular Weight394.84 g/mol
Exact Mass394.05
IUPAC Name4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(S(=O)(=O)c3ccc(Cl)c4ncccc34)CCO2)o1
InChIInChI=1S/C16H15ClN4O4S/c1-10-19-20-16(25-10)13-9-21(7-8-24-13)26(22,23)14-5-4-12(17)15-11(14)3-2-6-18-15/h2-6,13H,7-9H2,1H3
InChIKeyGLCDHWOXHCFYJR-UHFFFAOYSA-N
XLogP2.34
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 154795711) is 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc(C2CN(S(=O)(=O)c3ccc(Cl)c4ncccc34)CCO2)o1.
What is the InChIKey of 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is GLCDHWOXHCFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4S/c1-10-19-20-16(25-10)13-9-21(7-8-24-13)26(22,23)14-5-4-12(17)15-11(14)3-2-6-18-15/h2-6,13H,7-9H2,1H3.
What are the key properties of 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 394.84 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 154795711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).