8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile

C19H24N4O2S — CID 166562106

IUPAC8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile
SMILES[H]N=S(C)(=O)CC1CCN(c2c(C#N)c(C)nc3c(OC)cccc23)CC1
InChIInChI=1S/C19H24N4O2S/c1-13-16(11-20)19(15-5-4-6-17(25-2)18(15)22-13)23-9-7-14(8-10-23)12-26(3,21)24/h4-6,14,21H,7-10,12H2,1-3H3
InChIKeyQQVMHZIKZSHEON-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.32
Rot. Bonds4

About 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile

8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 166562106) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID166562106
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile
SMILES[H]N=S(C)(=O)CC1CCN(c2c(C#N)c(C)nc3c(OC)cccc23)CC1
InChIInChI=1S/C19H24N4O2S/c1-13-16(11-20)19(15-5-4-6-17(25-2)18(15)22-13)23-9-7-14(8-10-23)12-26(3,21)24/h4-6,14,21H,7-10,12H2,1-3H3
InChIKeyQQVMHZIKZSHEON-UHFFFAOYSA-N
XLogP3.32
TPSA90.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile (CID 166562106) is 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile is [H]N=S(C)(=O)CC1CCN(c2c(C#N)c(C)nc3c(OC)cccc23)CC1.
What is the InChIKey of 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is QQVMHZIKZSHEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-16(11-20)19(15-5-4-6-17(25-2)18(15)22-13)23-9-7-14(8-10-23)12-26(3,21)24/h4-6,14,21H,7-10,12H2,1-3H3.
What are the key properties of 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile?
8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 372.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-4-[4-[(methylsulfonimidoyl)methyl]piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 166562106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).