(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide

C18H24N2O3S — CID 124627758

IUPAC(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide
SMILESCCCOc1cccc2c(N3CCS(=O)(=O)C[C@H](C)C3)ccnc12
InChIInChI=1S/C18H24N2O3S/c1-3-10-23-17-6-4-5-15-16(7-8-19-18(15)17)20-9-11-24(21,22)13-14(2)12-20/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1
InChIKeyGPIIFHFJMDXGIF-CQSZACIVSA-N
MW348.47 g/mol
LogP2.89
Rot. Bonds4

About (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide

(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide (PubChem CID 124627758) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide.

Molecular Properties

Compound Name(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide
PubChem CID124627758
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide
SMILESCCCOc1cccc2c(N3CCS(=O)(=O)C[C@H](C)C3)ccnc12
InChIInChI=1S/C18H24N2O3S/c1-3-10-23-17-6-4-5-15-16(7-8-19-18(15)17)20-9-11-24(21,22)13-14(2)12-20/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1
InChIKeyGPIIFHFJMDXGIF-CQSZACIVSA-N
XLogP2.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide?
The IUPAC name of (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide (CID 124627758) is (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide.
What is the SMILES notation for (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide?
The canonical SMILES for (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide is CCCOc1cccc2c(N3CCS(=O)(=O)C[C@H](C)C3)ccnc12.
What is the InChIKey of (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide?
The InChIKey is GPIIFHFJMDXGIF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-10-23-17-6-4-5-15-16(7-8-19-18(15)17)20-9-11-24(21,22)13-14(2)12-20/h4-8,14H,3,9-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide?
(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide has a molecular weight of 348.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide is sourced from PubChem (CID 124627758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).