3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine

C17H17ClN2OS — CID 135145281

IUPAC3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine
SMILESCNCCC(Oc1cccc2ncccc12)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2OS/c1-19-11-9-15(16-7-8-17(18)22-16)21-14-6-2-5-13-12(14)4-3-10-20-13/h2-8,10,15,19H,9,11H2,1H3
InChIKeyRXAFOXHLNBBCQQ-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.68
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine

3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine (PubChem CID 135145281) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine
PubChem CID135145281
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine
SMILESCNCCC(Oc1cccc2ncccc12)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2OS/c1-19-11-9-15(16-7-8-17(18)22-16)21-14-6-2-5-13-12(14)4-3-10-20-13/h2-8,10,15,19H,9,11H2,1H3
InChIKeyRXAFOXHLNBBCQQ-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine (CID 135145281) is 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine is CNCCC(Oc1cccc2ncccc12)c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine?
The InChIKey is RXAFOXHLNBBCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-19-11-9-15(16-7-8-17(18)22-16)21-14-6-2-5-13-12(14)4-3-10-20-13/h2-8,10,15,19H,9,11H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine?
3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine has a molecular weight of 332.86 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine is sourced from PubChem (CID 135145281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).