ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol

C21H36N2O2S — CID 171541796

IUPACethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol
SMILESCC.CC.CC.Cc1cc(CN2CCS(=O)CC2)c2cccnc2c1O
InChIInChI=1S/C15H18N2O2S.3C2H6/c1-11-9-12(10-17-5-7-20(19)8-6-17)13-3-2-4-16-14(13)15(11)18;3*1-2/h2-4,9,18H,5-8,10H2,1H3;3*1-2H3
InChIKeyKYCFSLWEAQPRHS-UHFFFAOYSA-N
MW380.60 g/mol
LogP4.89
Rot. Bonds2

About ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol

ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol (PubChem CID 171541796) has the molecular formula C21H36N2O2S and a molecular weight of 380.60 g/mol. Its IUPAC name is ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Nameethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol
PubChem CID171541796
Molecular FormulaC21H36N2O2S
Molecular Weight380.60 g/mol
Exact Mass380.25
IUPAC Nameethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol
SMILESCC.CC.CC.Cc1cc(CN2CCS(=O)CC2)c2cccnc2c1O
InChIInChI=1S/C15H18N2O2S.3C2H6/c1-11-9-12(10-17-5-7-20(19)8-6-17)13-3-2-4-16-14(13)15(11)18;3*1-2/h2-4,9,18H,5-8,10H2,1H3;3*1-2H3
InChIKeyKYCFSLWEAQPRHS-UHFFFAOYSA-N
XLogP4.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol?
The IUPAC name of ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol (CID 171541796) is ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol.
What is the SMILES notation for ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol?
The canonical SMILES for ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol is CC.CC.CC.Cc1cc(CN2CCS(=O)CC2)c2cccnc2c1O.
What is the InChIKey of ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol?
The InChIKey is KYCFSLWEAQPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S.3C2H6/c1-11-9-12(10-17-5-7-20(19)8-6-17)13-3-2-4-16-14(13)15(11)18;3*1-2/h2-4,9,18H,5-8,10H2,1H3;3*1-2H3.
What are the key properties of ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol?
ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol has a molecular weight of 380.60 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 171541796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).