1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one

C18H22N4O4S — CID 110424462

IUPAC1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
SMILESCc1nnc(C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)CC2)o1
InChIInChI=1S/C18H22N4O4S/c1-12-19-20-18(26-12)13-7-9-22(10-8-13)27(24,25)15-4-5-16-14(11-15)3-6-17(23)21(16)2/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyYNBBJDOLRCOGNT-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.86
Rot. Bonds3

About 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one

1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one (PubChem CID 110424462) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
PubChem CID110424462
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
SMILESCc1nnc(C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)CC2)o1
InChIInChI=1S/C18H22N4O4S/c1-12-19-20-18(26-12)13-7-9-22(10-8-13)27(24,25)15-4-5-16-14(11-15)3-6-17(23)21(16)2/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyYNBBJDOLRCOGNT-UHFFFAOYSA-N
XLogP1.86
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one (CID 110424462) is 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one is Cc1nnc(C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)CC2)o1.
What is the InChIKey of 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The InChIKey is YNBBJDOLRCOGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-19-20-18(26-12)13-7-9-22(10-8-13)27(24,25)15-4-5-16-14(11-15)3-6-17(23)21(16)2/h4-5,11,13H,3,6-10H2,1-2H3.
What are the key properties of 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one has a molecular weight of 390.47 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 110424462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).