4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one

C16H20N2O3S — CID 6324404

IUPAC4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C16H20N2O3S/c1-11-9-15(19)17-16-12(2)8-13(10-14(11)16)22(20,21)18-6-4-3-5-7-18/h8-10H,3-7H2,1-2H3,(H,17,19)
InChIKeyUZOLTMHKRVUJPD-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.32
Rot. Bonds2

About 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one

4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one (PubChem CID 6324404) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one
PubChem CID6324404
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C16H20N2O3S/c1-11-9-15(19)17-16-12(2)8-13(10-14(11)16)22(20,21)18-6-4-3-5-7-18/h8-10H,3-7H2,1-2H3,(H,17,19)
InChIKeyUZOLTMHKRVUJPD-UHFFFAOYSA-N
XLogP2.32
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one?
The IUPAC name of 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one (CID 6324404) is 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one?
The canonical SMILES for 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)N3CCCCC3)cc12.
What is the InChIKey of 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one?
The InChIKey is UZOLTMHKRVUJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-9-15(19)17-16-12(2)8-13(10-14(11)16)22(20,21)18-6-4-3-5-7-18/h8-10H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one?
4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-6-piperidin-1-ylsulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 6324404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).