8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine

C19H27N3O3S — CID 133388731

IUPAC8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
SMILESCOc1cccc2c(NC3CCN(CCS(C)(=O)=O)CC3)cc(C)nc12
InChIInChI=1S/C19H27N3O3S/c1-14-13-17(16-5-4-6-18(25-2)19(16)20-14)21-15-7-9-22(10-8-15)11-12-26(3,23)24/h4-6,13,15H,7-12H2,1-3H3,(H,20,21)
InChIKeyVIBLQRUXVLIYGQ-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.47
Rot. Bonds6

About 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine

8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine (PubChem CID 133388731) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
PubChem CID133388731
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
SMILESCOc1cccc2c(NC3CCN(CCS(C)(=O)=O)CC3)cc(C)nc12
InChIInChI=1S/C19H27N3O3S/c1-14-13-17(16-5-4-6-18(25-2)19(16)20-14)21-15-7-9-22(10-8-15)11-12-26(3,23)24/h4-6,13,15H,7-12H2,1-3H3,(H,20,21)
InChIKeyVIBLQRUXVLIYGQ-UHFFFAOYSA-N
XLogP2.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.47
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-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine?
The IUPAC name of 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine (CID 133388731) is 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine.
What is the SMILES notation for 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine?
The canonical SMILES for 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine is COc1cccc2c(NC3CCN(CCS(C)(=O)=O)CC3)cc(C)nc12.
What is the InChIKey of 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine?
The InChIKey is VIBLQRUXVLIYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-14-13-17(16-5-4-6-18(25-2)19(16)20-14)21-15-7-9-22(10-8-15)11-12-26(3,23)24/h4-6,13,15H,7-12H2,1-3H3,(H,20,21).
What are the key properties of 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine?
8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine has a molecular weight of 377.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine is sourced from PubChem (CID 133388731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).