1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C15H20ClN3S — CID 115985597

IUPAC1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)C(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H20ClN3S/c1-19(8-9-20-2)14(10-17)12-5-6-13(16)11-4-3-7-18-15(11)12/h3-7,14H,8-10,17H2,1-2H3
InChIKeyOUTHUFDRDKKOLB-UHFFFAOYSA-N
MW309.87 g/mol
LogP3.18
Rot. Bonds6

About 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 115985597) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID115985597
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)C(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H20ClN3S/c1-19(8-9-20-2)14(10-17)12-5-6-13(16)11-4-3-7-18-15(11)12/h3-7,14H,8-10,17H2,1-2H3
InChIKeyOUTHUFDRDKKOLB-UHFFFAOYSA-N
XLogP3.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
CID 115959533
2-(5-chloroquinolin-8-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 112617884
1-(5-chloroquinolin-8-yl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 115959538
1-(5-chloroquinolin-8-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 115959539
N-methyl-N-(2-methylsulfanylethyl)-1-phenylethane-1,2-diamine
CID 112657406
1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
CID 112617871
1-(2,4-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658297
CID 172791001
CID 172791001
1-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 112617875
1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657342
1-(4-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657404
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 115985597) is 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCN(C)C(CN)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is OUTHUFDRDKKOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-19(8-9-20-2)14(10-17)12-5-6-13(16)11-4-3-7-18-15(11)12/h3-7,14H,8-10,17H2,1-2H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 309.87 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 115985597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).