3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine

C16H21N3S — CID 63784426

IUPAC3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
SMILESCN(c1nc2ccccc2cc1CCN)C1CCSC1
InChIInChI=1S/C16H21N3S/c1-19(14-7-9-20-11-14)16-13(6-8-17)10-12-4-2-3-5-15(12)18-16/h2-5,10,14H,6-9,11,17H2,1H3
InChIKeyHVOVYFMCVMGDCG-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.68
Rot. Bonds4

About 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine

3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine (PubChem CID 63784426) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
PubChem CID63784426
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
SMILESCN(c1nc2ccccc2cc1CCN)C1CCSC1
InChIInChI=1S/C16H21N3S/c1-19(14-7-9-20-11-14)16-13(6-8-17)10-12-4-2-3-5-15(12)18-16/h2-5,10,14H,6-9,11,17H2,1H3
InChIKeyHVOVYFMCVMGDCG-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine?
The IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine (CID 63784426) is 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine.
What is the SMILES notation for 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine?
The canonical SMILES for 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine is CN(c1nc2ccccc2cc1CCN)C1CCSC1.
What is the InChIKey of 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine?
The InChIKey is HVOVYFMCVMGDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-19(14-7-9-20-11-14)16-13(6-8-17)10-12-4-2-3-5-15(12)18-16/h2-5,10,14H,6-9,11,17H2,1H3.
What are the key properties of 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine?
3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine has a molecular weight of 287.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine is sourced from PubChem (CID 63784426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).