(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine

C18H19ClN2OS — CID 125179839

IUPAC(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NCc1cc2ccc(Cl)cc2nc1-c1ccsc1
InChIInChI=1S/C18H19ClN2OS/c1-12(10-22-2)20-9-15-7-13-3-4-16(19)8-17(13)21-18(15)14-5-6-23-11-14/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyNKOHOTLLBOCZBZ-GFCCVEGCSA-N
MW346.88 g/mol
LogP4.74
Rot. Bonds6

About (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine

(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine (PubChem CID 125179839) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine
PubChem CID125179839
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NCc1cc2ccc(Cl)cc2nc1-c1ccsc1
InChIInChI=1S/C18H19ClN2OS/c1-12(10-22-2)20-9-15-7-13-3-4-16(19)8-17(13)21-18(15)14-5-6-23-11-14/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyNKOHOTLLBOCZBZ-GFCCVEGCSA-N
XLogP4.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-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 (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine (CID 125179839) is (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine is COC[C@@H](C)NCc1cc2ccc(Cl)cc2nc1-c1ccsc1.
What is the InChIKey of (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine?
The InChIKey is NKOHOTLLBOCZBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-12(10-22-2)20-9-15-7-13-3-4-16(19)8-17(13)21-18(15)14-5-6-23-11-14/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine?
(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine has a molecular weight of 346.88 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 125179839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).