N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine

C16H22N2S — CID 81231399

IUPACN-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine
SMILESCCCNC(CSCC)c1ccc2cccnc2c1
InChIInChI=1S/C16H22N2S/c1-3-9-17-16(12-19-4-2)14-8-7-13-6-5-10-18-15(13)11-14/h5-8,10-11,16-17H,3-4,9,12H2,1-2H3
InChIKeyKGJUKWKZXCYJCF-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.03
Rot. Bonds7

About N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine

N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine (PubChem CID 81231399) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine
PubChem CID81231399
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine
SMILESCCCNC(CSCC)c1ccc2cccnc2c1
InChIInChI=1S/C16H22N2S/c1-3-9-17-16(12-19-4-2)14-8-7-13-6-5-10-18-15(13)11-14/h5-8,10-11,16-17H,3-4,9,12H2,1-2H3
InChIKeyKGJUKWKZXCYJCF-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine 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

N-(2-cyclopropyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81232087
N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231123
2-methyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 81220696
N-(2-butan-2-ylsulfanyl-1-quinolin-6-ylethyl)propan-1-amine
CID 81228662
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
N-[furan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 81231383
2-cyclopropyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 105021677
N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine
CID 81228674
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
CID 81231447
N-[1-(2-methylquinolin-6-yl)-2-propylsulfanylethyl]propan-1-amine
CID 81228646
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105172648

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine?
The IUPAC name of N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine (CID 81231399) is N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine is CCCNC(CSCC)c1ccc2cccnc2c1.
What is the InChIKey of N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine?
The InChIKey is KGJUKWKZXCYJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-9-17-16(12-19-4-2)14-8-7-13-6-5-10-18-15(13)11-14/h5-8,10-11,16-17H,3-4,9,12H2,1-2H3.
What are the key properties of N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine?
N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine is sourced from PubChem (CID 81231399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).