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

C17H17FN2OS — CID 135145317

IUPAC(3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine
SMILESCNCC[C@H](Oc1cccc2ncccc12)c1sccc1F
InChIInChI=1S/C17H17FN2OS/c1-19-10-7-16(17-13(18)8-11-22-17)21-15-6-2-5-14-12(15)4-3-9-20-14/h2-6,8-9,11,16,19H,7,10H2,1H3/t16-/m0/s1
InChIKeyRUZCAHKGJLXNSF-INIZCTEOSA-N
MW316.40 g/mol
LogP4.16
Rot. Bonds6

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

(3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine (PubChem CID 135145317) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine.

Molecular Properties

Compound Name(3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine
PubChem CID135145317
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name(3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine
SMILESCNCC[C@H](Oc1cccc2ncccc12)c1sccc1F
InChIInChI=1S/C17H17FN2OS/c1-19-10-7-16(17-13(18)8-11-22-17)21-15-6-2-5-14-12(15)4-3-9-20-14/h2-6,8-9,11,16,19H,7,10H2,1H3/t16-/m0/s1
InChIKeyRUZCAHKGJLXNSF-INIZCTEOSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine?
The IUPAC name of (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine (CID 135145317) is (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine.
What is the SMILES notation for (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine?
The canonical SMILES for (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine is CNCC[C@H](Oc1cccc2ncccc12)c1sccc1F.
What is the InChIKey of (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine?
The InChIKey is RUZCAHKGJLXNSF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-19-10-7-16(17-13(18)8-11-22-17)21-15-6-2-5-14-12(15)4-3-9-20-14/h2-6,8-9,11,16,19H,7,10H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine?
(3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine has a molecular weight of 316.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorothiophen-2-yl)-N-methyl-3-quinolin-5-yloxypropan-1-amine is sourced from PubChem (CID 135145317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).