ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane

C12H14N2OS — CID 125424625

IUPACethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane
SMILES[H]N=[S@](=O)(CC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C12H14N2OS/c1-3-16(13,15)12-8-9(2)10-6-4-5-7-11(10)14-12/h4-8,13H,3H2,1-2H3/t16-/m0/s1
InChIKeyJCIPXEDNVZVCLO-INIZCTEOSA-N
MW234.32 g/mol
LogP2.97
Rot. Bonds2

About ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane

ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane (PubChem CID 125424625) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane
PubChem CID125424625
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Nameethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane
SMILES[H]N=[S@](=O)(CC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C12H14N2OS/c1-3-16(13,15)12-8-9(2)10-6-4-5-7-11(10)14-12/h4-8,13H,3H2,1-2H3/t16-/m0/s1
InChIKeyJCIPXEDNVZVCLO-INIZCTEOSA-N
XLogP2.97
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylquinoline-2-sulfonic acid
CID 119081997
N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125424689
2-(4-methoxyphenyl)sulfonyl-4-methylquinoline
CID 71371296
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
4-ethylsulfonyl-1-(4-methylquinolin-2-yl)butan-1-one
CID 114754641
4-methylquinoline-2-carbaldehyde
CID 12735795
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
ethane;2-ethoxy-4-methylquinoline
CID 142037221
2-methoxy-1-(4-methylquinolin-2-yl)ethanone
CID 114754716
4-methyl-2-prop-1-en-2-ylquinoline
CID 119082154
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
2-hexyl-4-methylquinoline
CID 504074

Frequently Asked Questions

What is the IUPAC name of ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane?
The IUPAC name of ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane (CID 125424625) is ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane?
The canonical SMILES for ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane is [H]N=[S@](=O)(CC)c1cc(C)c2ccccc2n1.
What is the InChIKey of ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane?
The InChIKey is JCIPXEDNVZVCLO-INIZCTEOSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-16(13,15)12-8-9(2)10-6-4-5-7-11(10)14-12/h4-8,13H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane?
ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane has a molecular weight of 234.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane is sourced from PubChem (CID 125424625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).