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

C17H18N2OS — CID 135145271

IUPACN-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(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
InChIKeyROKYHZXDTGMCJT-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.03
Rot. Bonds6

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

N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 135145271) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID135145271
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(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
InChIKeyROKYHZXDTGMCJT-UHFFFAOYSA-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 N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine (CID 135145271) is N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine is CNCCC(Oc1cccc2ncccc12)c1cccs1.
What is the InChIKey of N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ROKYHZXDTGMCJT-UHFFFAOYSA-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.
What are the key properties of N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
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 N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 135145271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).