4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine

C19H22N2OS — CID 146397597

IUPAC4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine
SMILESCNCCC(C)(COc1cncc2ccccc12)c1cccs1
InChIInChI=1S/C19H22N2OS/c1-19(9-10-20-2,18-8-5-11-23-18)14-22-17-13-21-12-15-6-3-4-7-16(15)17/h3-8,11-13,20H,9-10,14H2,1-2H3
InChIKeyXIKVCVBNILGLIN-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.24
Rot. Bonds7

About 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine

4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine (PubChem CID 146397597) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine
PubChem CID146397597
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine
SMILESCNCCC(C)(COc1cncc2ccccc12)c1cccs1
InChIInChI=1S/C19H22N2OS/c1-19(9-10-20-2,18-8-5-11-23-18)14-22-17-13-21-12-15-6-3-4-7-16(15)17/h3-8,11-13,20H,9-10,14H2,1-2H3
InChIKeyXIKVCVBNILGLIN-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-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

Related Compounds

1-isoquinolin-5-yloxy-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 166998235
(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 135145347
N-(2-methylbutan-2-yl)isoquinolin-4-amine
CID 71046911
2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine
CID 83107390
N-tert-butylisoquinolin-4-amine
CID 58709881
1-(1-benzothiophen-5-yloxy)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 166998366
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
4-(tert-butylamino)-2-isoquinolin-4-ylbutan-2-ol
CID 66001660
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine
CID 70608386
4-(2-methylpentan-2-yl)isoquinoline
CID 139319427
N-(isoquinolin-4-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 115904955

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine?
The IUPAC name of 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine (CID 146397597) is 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine is CNCCC(C)(COc1cncc2ccccc12)c1cccs1.
What is the InChIKey of 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine?
The InChIKey is XIKVCVBNILGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-19(9-10-20-2,18-8-5-11-23-18)14-22-17-13-21-12-15-6-3-4-7-16(15)17/h3-8,11-13,20H,9-10,14H2,1-2H3.
What are the key properties of 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine?
4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine has a molecular weight of 326.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-4-yloxy-N,3-dimethyl-3-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 146397597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).