5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine

C13H15ClN2O2S — CID 116783967

IUPAC5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
SMILESCCS(=O)(=O)CCNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H15ClN2O2S/c1-2-19(17,18)9-8-15-12-6-5-11(14)10-4-3-7-16-13(10)12/h3-7,15H,2,8-9H2,1H3
InChIKeyWNZSGCUIRQETGE-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.73
Rot. Bonds5

About 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine

5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine (PubChem CID 116783967) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
PubChem CID116783967
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
SMILESCCS(=O)(=O)CCNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H15ClN2O2S/c1-2-19(17,18)9-8-15-12-6-5-11(14)10-4-3-7-16-13(10)12/h3-7,15H,2,8-9H2,1H3
InChIKeyWNZSGCUIRQETGE-UHFFFAOYSA-N
XLogP2.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
tert-butyl N-[3-[(5-chloroquinolin-8-yl)amino]propyl]carbamate
CID 103821885
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
8-chloro-N-heptylquinolin-5-amine
CID 43731731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine (CID 116783967) is 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine is CCS(=O)(=O)CCNc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine?
The InChIKey is WNZSGCUIRQETGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-2-19(17,18)9-8-15-12-6-5-11(14)10-4-3-7-16-13(10)12/h3-7,15H,2,8-9H2,1H3.
What are the key properties of 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine?
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine has a molecular weight of 298.79 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine is sourced from PubChem (CID 116783967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).