[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol

C17H18N2OS — CID 79489158

IUPAC[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
SMILESCN(CCc1cccs1)c1nc(CO)cc2ccccc12
InChIInChI=1S/C17H18N2OS/c1-19(9-8-15-6-4-10-21-15)17-16-7-3-2-5-13(16)11-14(12-20)18-17/h2-7,10-11,20H,8-9,12H2,1H3
InChIKeyGAKASNLHQRSCOI-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.47
Rot. Bonds5

About [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol

[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol (PubChem CID 79489158) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
PubChem CID79489158
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
SMILESCN(CCc1cccs1)c1nc(CO)cc2ccccc12
InChIInChI=1S/C17H18N2OS/c1-19(9-8-15-6-4-10-21-15)17-16-7-3-2-5-13(16)11-14(12-20)18-17/h2-7,10-11,20H,8-9,12H2,1H3
InChIKeyGAKASNLHQRSCOI-UHFFFAOYSA-N
XLogP3.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol 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-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
CID 106768318
[1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]isoquinolin-3-yl]methanol
CID 63837159
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
CID 79487719
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
CID 62284333
[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol
CID 61255400
[1-[cyclopropyl(methyl)amino]isoquinolin-3-yl]methanol
CID 61256655
[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 79494341
4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 79494614
4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80849972
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791

Frequently Asked Questions

What is the IUPAC name of [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol (CID 79489158) is [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol is CN(CCc1cccs1)c1nc(CO)cc2ccccc12.
What is the InChIKey of [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol?
The InChIKey is GAKASNLHQRSCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-19(9-8-15-6-4-10-21-15)17-16-7-3-2-5-13(16)11-14(12-20)18-17/h2-7,10-11,20H,8-9,12H2,1H3.
What are the key properties of [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol?
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol is sourced from PubChem (CID 79489158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).