(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine

C17H18N2OS — CID 135145270

IUPAC(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ncccc12)c1cccs1
InChIInChI=1S/C17H18N2OS/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14/h2-8,10,12,16,18H,9,11H2,1H3/t16-/m1/s1
InChIKeyROKYHZXDTGMCJT-MRXNPFEDSA-N
MW298.41 g/mol
LogP4.03
Rot. Bonds6

About (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine

(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 135145270) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID135145270
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ncccc12)c1cccs1
InChIInChI=1S/C17H18N2OS/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14/h2-8,10,12,16,18H,9,11H2,1H3/t16-/m1/s1
InChIKeyROKYHZXDTGMCJT-MRXNPFEDSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine (CID 135145270) is (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine is CNCC[C@@H](Oc1cccc2ncccc12)c1cccs1.
What is the InChIKey of (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ROKYHZXDTGMCJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14/h2-8,10,12,16,18H,9,11H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 135145270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).