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

C17H18N2OS — CID 135145310

IUPAC(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ncccc12)c1ccsc1
InChIInChI=1S/C17H18N2OS/c1-18-10-7-16(13-8-11-21-12-13)20-17-6-2-5-15-14(17)4-3-9-19-15/h2-6,8-9,11-12,16,18H,7,10H2,1H3/t16-/m1/s1
InChIKeyZWHDVUZVJSBQRG-MRXNPFEDSA-N
MW298.41 g/mol
LogP4.03
Rot. Bonds6

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

(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine (PubChem CID 135145310) 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-3-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine
PubChem CID135145310
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ncccc12)c1ccsc1
InChIInChI=1S/C17H18N2OS/c1-18-10-7-16(13-8-11-21-12-13)20-17-6-2-5-15-14(17)4-3-9-19-15/h2-6,8-9,11-12,16,18H,7,10H2,1H3/t16-/m1/s1
InChIKeyZWHDVUZVJSBQRG-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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Related Compounds

1-(5-(2-Thenyloxy)-1H-indol-3-yl)propan-2-amine
CID 4284720
6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
7-Methoxy-3-thiophen-3-yl-quinoline
CID 10331922
5,7-Dimethoxy-3-thiophen-3-yl-quinoline
CID 10355832
6,7-Dimethoxy-3-thiophen-2-yl-quinoline
CID 10468421
(S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylpiperidin-1-yl)propan-2-ol
CID 44317146
N-[2-(4-Bromophenyl)ethyl]-7-methoxy-2-(3-thienyl)-3-quinolinemethanamine
CID 24969872
2-(4-chlorophenyl)-N-((7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine
CID 26404327
[3-[5-(5-Quinolyloxy)pentoxy]phenyl]thiourea
CID 44573794
1-(7-Methoxy-2-(thiophen-3-yl)quinolin-3-yl)-n-(4-methylbenzyl)methanamine
CID 52941356
2-(4-Bromophenyl)-n-((7-methoxy-2-(thiophen-2-yl)quinolin-3-yl)methyl)ethanamine
CID 52948780
Lopac-B-175
CID 6603733

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine (CID 135145310) is (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine is CNCC[C@@H](Oc1cccc2ncccc12)c1ccsc1.
What is the InChIKey of (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ZWHDVUZVJSBQRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-18-10-7-16(13-8-11-21-12-13)20-17-6-2-5-15-14(17)4-3-9-19-15/h2-6,8-9,11-12,16,18H,7,10H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-ylpropan-1-amine?
(3R)-N-methyl-3-quinolin-5-yloxy-3-thiophen-3-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-3-ylpropan-1-amine is sourced from PubChem (CID 135145310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).